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ChEMBL ligand: CHEMBL81 (Eviden, Evista, J22.982B, Keoxifene, LY-139481, NSC-747974, Raloxifene, Raloxiphene, Raxeto) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4931] [UniProtKB: Q15125] | ||||||||
ChEMBL | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
ChEMBL | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | B | 6.4 | pIC50 | 400 | nM | IC50 | DrugMatrix in vitro pharmacology data |
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
ChEMBL | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | B | 5.93 | pKi | 1185 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) | B | 5.68 | pIC50 | 2111 | nM | IC50 | DrugMatrix in vitro pharmacology data |
aldehyde oxidase 1/Aldehyde oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3257] [GtoPdb: 3186] [UniProtKB: Q06278] | ||||||||
ChEMBL | Uncompetitive type inhibition of human AOX assessed as inhibitor dissociation constant by measuring intercept of the double reciprocal plot using phenanthridine as substrate by spectrophotometry based Lineweaver-Burk plot analysis | B | 8.15 | pKi | 0.01 | uM | Kii | J Med Chem (2021) 64: 13025-13037 [PMID:34415167] |
ChEMBL | Uncompetitive type inhibition of human AOX assessed as inhibition constant using phthalazine as substrate preincubated for 30 mins followed by substrate addition by HPLC-MS analysis | B | 9.06 | pKi | 0.87 | nM | Ki | J Med Chem (2021) 64: 13025-13037 [PMID:34415167] |
ChEMBL | Uncompetitive type inhibition of human AOX assessed as inhibition constant using vanillin as substrate by HPLC-MS analysis | B | 9.06 | pKi | 0.87 | nM | Ki | J Med Chem (2021) 64: 13025-13037 [PMID:34415167] |
ChEMBL | Uncompetitive type inhibition of human AOX assessed as inhibition constant using nicotine-1(S)-iminium ion as substrate incubated for 2 mins by HPLC-MS analysis | B | 9.06 | pKi | 0.87 | nM | Ki | J Med Chem (2021) 64: 13025-13037 [PMID:34415167] |
GtoPdb | - | - | 7.35 | pIC50 | 44.5 | nM | IC50 | WO2018198842A1. Therapeutic agent for nonalcoholic fatty liver disease (2018) |
ChEMBL | Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis | B | 7.35 | pIC50 | 44.5 | nM | IC50 | WO-2018198842-A1. Therapeutic agent for nonalcoholic fatty liver disease (null) |
α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.05 | pKi | 892 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.66 | pIC50 | 2204 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.83 | pKi | 1491 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.57 | pIC50 | 2693 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.32 | pKi | 478 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.01 | pIC50 | 973 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 6.2 | pKi | 624 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 5.78 | pIC50 | 1664 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.77 | pKi | 1688 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.43 | pIC50 | 3698 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.97 | pKi | 107 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.13 | pIC50 | 738 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1] | ||||||||
ChEMBL | Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay | B | 4.94 | pIC50 | 11560 | nM | IC50 | Bioorg Med Chem (2013) 21: 4266-4278 [PMID:23688559] |
C-8 sterol isomerase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3224] [UniProtKB: P32352] | ||||||||
ChEMBL | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | B | 7.18 | pKi | 66 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
Complement C5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2364163] [UniProtKB: P01031] | ||||||||
ChEMBL | Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis | B | 6.15 | pKd | 710 | nM | Kd | Bioorg Med Chem (2019) 27: 115052-115052 [PMID:31447248] |
Cruzipain in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3563] [UniProtKB: P25779] | ||||||||
ChEMBL | Inhibition of Trypanosoma cruzi cruzain by quantitative high throughput screening | B | 4.22 | pIC50 | >60000 | nM | IC50 | J Med Chem (2010) 53: 37-51 [PMID:19908840] |
ChEMBL | Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100 | B | 4.48 | pIC50 | 33000 | nM | IC50 | J Med Chem (2010) 53: 4259-4265 [PMID:20426472] |
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.7 | pIC50 | 2000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 5.63 | pKi | 2342 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 5.18 | pIC50 | 6644 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.71 | pKi | 1932 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.41 | pIC50 | 3864 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 6.41 | pKi | 391 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 5.93 | pIC50 | 1174 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 6.27 | pKi | 531 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 5.81 | pIC50 | 1565 | nM | IC50 | DrugMatrix in vitro pharmacology data |
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.83 | pKi | 1485 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.73 | pIC50 | 1869 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] | ||||||||
ChEMBL | Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 5075-5077 [PMID:18722117] |
ChEMBL | Binding affinity to ERalpha (unknown origin) | B | 9.37 | pKi | 0.43 | nM | Ki | Bioorg Med Chem (2016) 24: 759-767 [PMID:26795112] |
ChEMBL | Binding affinity for estrogen receptor alpha | B | 9.4 | pKi | 0.4 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 1907-1910 [PMID:12749895] |
ChEMBL | Binding affinity to ERalpha ligand binding domain | B | 9.42 | pKi | 0.38 | nM | Ki | ACS Med Chem Lett (2012) 3: 207-210 [PMID:22582136] |
ChEMBL | Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting | B | 9.43 | pKi | 0.37 | nM | Ki | ACS Med Chem Lett (2012) 3: 207-210 [PMID:22582136] |
GtoPdb | - | - | 9.5 | pKi | - | - | - | Endocrinology (1997) 138: 863-70 [PMID:9048584] |
GtoPdb | - | - | 9.5 | pKi | - | - | - | J Med Chem (2000) 43: 4934-47 [PMID:11150164] |
ChEMBL | Ability to displace [3H]17-beta-estradiol from Estrogen receptor alpha by scintillation proximity assay. | B | 9.66 | pKi | 0.22 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1939-1942 [PMID:11459665] |
ChEMBL | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | B | 9.8 | pKi | 0.16 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol | F | 10.52 | pKi | 0.03 | nM | Ki | J Med Chem (2005) 48: 5989-6003 [PMID:16162002] |
ChEMBL | Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17-beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine incorporation assay | F | 6.65 | pIC50 | 222 | nM | IC50 | J Med Chem (2009) 52: 7544-7569 [PMID:19366247] |
ChEMBL | Antagonist activity at human ERalpha E353A mutant expressed in HEK293T cells co-expressing ERE assessed as inhibition of ES8-induced transactivation by luciferase reporter gene assay | F | 7.25 | pIC50 | 56 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
ChEMBL | Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17-beta-estradiol-induced alkaline phosphatase activity after 3 days by chemiluminescence assay | F | 7.62 | pIC50 | 24 | nM | IC50 | J Med Chem (2009) 52: 7544-7569 [PMID:19366247] |
ChEMBL | Inhibition of [3H]estradiol binding to human estrogen receptor alpha expressed in HeLa cells | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2005) 48: 364-379 [PMID:15658851] |
ChEMBL | Displacement of [3H]estradiol from human recombinant ERalpha | B | 7.69 | pIC50 | 20.6 | nM | IC50 | J Med Chem (2007) 50: 2682-2692 [PMID:17489582] |
ChEMBL | In vitro binding affinity for estrogen receptor alpha | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1919-1922 [PMID:12749898] |
ChEMBL | Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced response incubated for 18 hrs by luciferase reporter gene assay | B | 8.23 | pIC50 | 5.9 | nM | IC50 | J Med Chem (2020) 63: 11085-11099 [PMID:32886512] |
ChEMBL | In vitro inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2001) 44: 1654-1657 [PMID:11356100] |
ChEMBL | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells expressing human estrogen receptor alpha; ERE assay | B | 8.62 | pIC50 | 2.4 | nM | IC50 | J Med Chem (2005) 48: 364-379 [PMID:15658851] |
ChEMBL | Binding affinity towards human recombinant Estrogen receptor alpha was determined | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2004) 47: 2171-2175 [PMID:15084115] |
ChEMBL | Inhibition of bindign to recombinant human estrogen receptor alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 107-113 [PMID:15582421] |
ChEMBL | Binding potency for human ER alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3861-3864 [PMID:15225685] |
ChEMBL | Binding potency for human ER alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3865-3868 [PMID:15225686] |
ChEMBL | Binding affinity against human estrogen receptor alpha in competitive binding assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374] |
ChEMBL | Binding affinity towards human estrogen receptor alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2551-2554 [PMID:15109649] |
ChEMBL | Binding affinity for Human Estrogen receptor-alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 479-483 [PMID:12565955] |
ChEMBL | Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2009) 52: 7544-7569 [PMID:19366247] |
ChEMBL | Displacement of [3H]17-beta-estradiol from full length human estrogen receptor alpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2741-2745 [PMID:15125925] |
ChEMBL | Inhibition of binding to recombinant human ERalpha by scintillation proximity assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 5124-5128 [PMID:16203138] |
ChEMBL | Binding affinity to ERalpha | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2006) 49: 3056-3059 [PMID:16722623] |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha | B | 9.05 | pIC50 | 0.89 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2891-2893 [PMID:15911274] |
ChEMBL | Inhibition of estrogen receptor alpha | B | 9.14 | pIC50 | 0.73 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1505-1507 [PMID:15713417] |
ChEMBL | In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol | F | 9.14 | pIC50 | 0.72 | nM | IC50 | J Med Chem (2001) 44: 1654-1657 [PMID:11356100] |
ChEMBL | In vitro inhibition of transcriptional activation induced by 1 nM 17-beta estradiol in T47D cells expressing estrogen receptor alpha | B | 9.15 | pIC50 | 0.7 | nM | IC50 | J Med Chem (2002) 45: 5492-5505 [PMID:12459017] |
ChEMBL | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | B | 9.26 | pIC50 | 0.55 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay | B | 9.33 | pIC50 | 0.47 | nM | IC50 | Bioorg Med Chem (2016) 24: 2914-2919 [PMID:27185013] |
ChEMBL | Antagonist activity at human ERalpha expressed in african green monkey CV1 cells assessed as inhibition of estrogen like activity after 24 hrs by luciferase reporter gene assay | F | 9.34 | pIC50 | 0.46 | nM | IC50 | J Nat Prod (2006) 69: 247-250 [PMID:16499324] |
ChEMBL | Antagonist activity at human wild type ERalpha expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivation by luciferase reporter gene assay | F | 9.52 | pIC50 | 0.3 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
ChEMBL | Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcriptional activity by luciferase reporter gene assay | B | 9.74 | pIC50 | 0.18 | nM | IC50 | Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565] |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor alpha. | B | 7.66 | pEC50 | 22 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
ChEMBL | Activity against estrogen receptor alpha | B | 7.66 | pEC50 | 22 | nM | EC50 | J Med Chem (2008) 51: 3661-3680 [PMID:18457385] |
ChEMBL | Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay | B | 9.18 | pEC50 | 0.66 | nM | EC50 | Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565] |
Estrogen receptor-α/Estrogen receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2724] [GtoPdb: 620] [UniProtKB: P06211] | ||||||||
ChEMBL | Binding to Estrogen receptor- alpha (ER alpha) receptor | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 2875-2878 [PMID:12270167] |
ChEMBL | Binding affinity for Rat Estrogen receptor-alpha | B | 9.15 | pIC50 | 0.7 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 479-483 [PMID:12565955] |
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] | ||||||||
ChEMBL | Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay | B | 7.64 | pKi | 23 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 5075-5077 [PMID:18722117] |
GtoPdb | - | - | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1939-42 [PMID:11459665] |
ChEMBL | Ability to displace [3H]17-beta-estradiol from Estrogen receptor beta by scintillation proximity assay. | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1939-1942 [PMID:11459665] |
ChEMBL | Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol | F | 8.35 | pKi | 4.5 | nM | Ki | J Med Chem (2005) 48: 5989-6003 [PMID:16162002] |
ChEMBL | Binding affinity for estrogen receptor beta | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 1907-1910 [PMID:12749895] |
ChEMBL | Binding affinity to ERbeta (unknown origin) | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem (2016) 24: 759-767 [PMID:26795112] |
ChEMBL | Displacement of [3H]estradiol from ERbeta after 4 hrs by scintillation counting | B | 8.56 | pKi | 2.74 | nM | Ki | ACS Med Chem Lett (2012) 3: 207-210 [PMID:22582136] |
ChEMBL | Antagonist activity at human ERbeta E305A mutant expressed in HEK293T cells co-expressing ERE assessed as inhibition of ES8-induced transactivation by luciferase reporter gene assay | F | 6.24 | pIC50 | 577 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
ChEMBL | Displacement of [3H]estradiol from human recombinant ERbeta | B | 6.25 | pIC50 | 557 | nM | IC50 | J Med Chem (2007) 50: 2682-2692 [PMID:17489582] |
ChEMBL | In vitro binding affinity for estrogen receptor beta | B | 6.33 | pIC50 | 470 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1919-1922 [PMID:12749898] |
ChEMBL | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells expressing human estrogen receptor beta; ERE assay | B | 6.47 | pIC50 | 341 | nM | IC50 | J Med Chem (2005) 48: 364-379 [PMID:15658851] |
ChEMBL | Inhibition of [3H]estradiol binding to human estrogen receptor beta expressed in HeLa cells | B | 6.59 | pIC50 | 260 | nM | IC50 | J Med Chem (2005) 48: 364-379 [PMID:15658851] |
ChEMBL | In vitro inhibitory concentration against [3H]17-beta-estradiol binding to human estrogen receptor 2 | B | 7.37 | pIC50 | 43 | nM | IC50 | J Med Chem (2001) 44: 1654-1657 [PMID:11356100] |
ChEMBL | Inhibition of estrogen receptor beta | B | 7.72 | pIC50 | 18.9 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1505-1507 [PMID:15713417] |
ChEMBL | In vitro inhibition of 1 nM 17-beta-estradiol induced transcriptional activation in T47D cells expressing estrogen receptor beta | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2002) 45: 5492-5505 [PMID:12459017] |
ChEMBL | Inhibition of binding to recombinant human ERbeta by scintillation proximity assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 5124-5128 [PMID:16203138] |
ChEMBL | Binding potency for human ER beta | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3861-3864 [PMID:15225685] |
ChEMBL | Binding affinity towards human recombinant Estrogen receptor beta was determined | B | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2004) 47: 2171-2175 [PMID:15084115] |
ChEMBL | Displacement of [3H]17-beta-estradiol from full length human estrogen receptor beta | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2741-2745 [PMID:15125925] |
ChEMBL | Binding affinity for Human Estrogen receptor-beta | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 479-483 [PMID:12565955] |
ChEMBL | Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374] |
ChEMBL | Inhibition of binding to recombinant human estrogen receptor beta | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 107-113 [PMID:15582421] |
ChEMBL | Binding affinity towards human estrogen receptor beta (ERbeta) | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2551-2554 [PMID:15109649] |
ChEMBL | Binding potency for human ER beta | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3865-3868 [PMID:15225686] |
ChEMBL | Binding affinity to ERbeta | B | 8.09 | pIC50 | 8.2 | nM | IC50 | J Med Chem (2006) 49: 3056-3059 [PMID:16722623] |
ChEMBL | Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay | B | 8.09 | pIC50 | 8.2 | nM | IC50 | J Med Chem (2009) 52: 7544-7569 [PMID:19366247] |
ChEMBL | Antagonist activity at human wild type ERbeta expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivation by luciferase reporter gene assay | F | 8.16 | pIC50 | 6.9 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
ChEMBL | Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr | B | 8.72 | pIC50 | 1.9 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3912-3916 [PMID:15993065] |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor beta | B | 8.8 | pIC50 | 1.6 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2891-2893 [PMID:15911274] |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor beta. | B | 6.59 | pEC50 | 260 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
Estrogen receptor-β/Estrogen receptor beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3021] [GtoPdb: 621] [UniProtKB: Q62986] | ||||||||
ChEMBL | Binding to Estrogen receptor- beta (ER beta) receptor | B | 6.33 | pIC50 | 470 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 2875-2878 [PMID:12270167] |
ChEMBL | Binding affinity foor Rat Estrogen receptor-beta | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 479-483 [PMID:12565955] |
κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 6.19 | pKi | 641 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.8 | pIC50 | 1602 | nM | IC50 | DrugMatrix in vitro pharmacology data |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 6.32 | pKi | 477 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) | B | 5.93 | pIC50 | 1176 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.88 | pKi | 1330 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.4 | pIC50 | 3989 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 6.55 | pKi | 280 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 6.55 | pIC50 | 282 | nM | IC50 | DrugMatrix in vitro pharmacology data |
PLD1/Phospholipase D1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2536] [GtoPdb: 1433] [UniProtKB: Q13393] | ||||||||
ChEMBL | Inhibition of PLD1 in human Calu-1 cells assessed as decrease in phosphatidylbutanol-[d9] production after 30 mins by mass spectrometric analysis | B | 5.07 | pIC50 | 8500 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
ChEMBL | Inhibition of human PLD1 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay | B | 5.37 | pIC50 | 4300 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
ChEMBL | Inhibition of human PLD1b | B | 5.4 | pIC50 | 4000 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
PLD1/Phospholipase D1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308939] [GtoPdb: 1433] [UniProtKB: P70496] | ||||||||
ChEMBL | Inhibition of N-terminally truncated rat PLD1 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
PLD2/Phospholipase D2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2734] [GtoPdb: 1434] [UniProtKB: O14939] | ||||||||
ChEMBL | Inhibition of GFP-tagged human PLD2 expressed in human HEK293 cells assessed as decrease in phosphatidylbutanol-[d9] production after 30 mins by mass spectrometric analysis | B | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
ChEMBL | Inhibition of human PLD2 assessed as release of methyl-[3H]choline from choline-methyl-[3H]dipalmitoylphosphatidylcholine after 30 mins by exogenous substrate assay | B | 5.47 | pIC50 | 3400 | nM | IC50 | Nat Chem Biol (2009) 5: 108-117 [PMID:19136975] |
Pregnane X receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3401] [GtoPdb: 606] [UniProtKB: O75469] | ||||||||
ChEMBL | Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay | B | 4.93 | pEC50 | 11710 | nM | EC50 | Bioorg Med Chem (2013) 21: 4266-4278 [PMID:23688559] |
5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 6.07 | pKi | 846 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 5.73 | pIC50 | 1861 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 6.38 | pKi | 414 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 5.84 | pIC50 | 1450 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.65 | pKi | 226 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting | B | 7.16 | pKi | 69 | nM | Ki | J Med Chem (2010) 53: 7573-7586 [PMID:20958049] |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.45 | pIC50 | 355 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.21 | pKi | 617 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 5.93 | pIC50 | 1178 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
ChEMBL | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting | B | 6.12 | pKi | 750 | nM | Ki | J Med Chem (2012) 55: 5704-5719 [PMID:22537153] |
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 5.72 | pKi | 1900 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 5.45 | pIC50 | 3576 | nM | IC50 | DrugMatrix in vitro pharmacology data |
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.54 | pKi | 286 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | B | 7.42 | pKi | 38 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.17 | pIC50 | 681 | nM | IC50 | DrugMatrix in vitro pharmacology data |
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 5.44 | pIC50 | 3666 | nM | IC50 | DrugMatrix in vitro pharmacology data |
GPER in Human [GtoPdb: 221] [UniProtKB: Q99527] | ||||||||
GtoPdb | - | - | 7 | pKi | - | - | - | Obstet Gynecol Int (2013) 2013: 472720 [PMID:24379833] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]