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ChEMBL ligand: CHEMBL603 (Accolate, Ici-204,219, ICI 204,219, ICI-204219, Zafirlukast) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] | ||||||||
ChEMBL | Inhibitory concentration against Adenosine A1 receptor | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 6.11 | pKi | 770 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.87 | pIC50 | 1363 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973] | ||||||||
ChEMBL | Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method | B | 5.19 | pIC50 | 6500 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126623-126623 [PMID:31439379] |
CysLT1 receptor/Cysteinyl leukotriene receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1798] [GtoPdb: 269] [UniProtKB: Q9Y271] | ||||||||
GtoPdb | against [3H]LTD4 in human lung parenchyma | - | 8.9 | pKi | - | - | - |
Biochem Pharmacol (2002) 63: 1537-46 [PMID:11996896]; Br J Pharmacol (1998) 123: 590-8 [PMID:9504401] |
ChEMBL | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | B | 9.06 | pKi | 0.86 | nM | Ki | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 7.7 | pIC50 | 20 | nM | IC50 | Br J Pharmacol (2010) 160: 399-409 [PMID:20423349] |
ChEMBL | Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay | F | 7.85 | pIC50 | 14 | nM | IC50 | ACS Med Chem Lett (2016) 7: 335-339 [PMID:26985325] |
ChEMBL | Antagonist activity at human CysLT1 | B | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (2015) 58: 6093-6113 [PMID:26200813] |
GtoPdb | against [3H]LTD4 in COS-7 or HEK-293 cells | - | 8.74 | pIC50 | 1.8 | nM | IC50 |
Nature (1999) 399: 789-93 [PMID:10391245]; Mol Pharmacol (1999) 56: 657-63 [PMID:10462554] |
ChEMBL | Inhibition of cysteinyl leukotriene receptor 1 (unknown origin) expressed in HEK293 cell membranes after 45 mins by scintillation spectrometry | B | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (2017) 60: 5235-5266 [PMID:28252961] |
ChEMBL | DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) | B | 8.76 | pIC50 | 1.73 | nM | IC50 | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 9.59 | pIC50 | 0.26 | nM | IC50 | Mol Pharmacol (1999) 56: 657-63 [PMID:10462554] |
Cysteinyl leukotriene receptor 1 in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5645] [UniProtKB: Q2NNR5] | ||||||||
ChEMBL | Displacement of [3H]leukotriene D4 (LTD4) from receptor in guinea pig lung membranes | B | 8.64 | pKi | 2.3 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
ChEMBL | In vitro binding of cysLT1 receptor to guinea pig lung membranes. | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1999) 9: 2773-2778 [PMID:10509933] |
ChEMBL | Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes | F | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 3577-3582 [PMID:9934474] |
ChEMBL | Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes | B | 9.47 | pKi | 0.34 | nM | Ki | J Med Chem (1994) 37: 1282-1297 [PMID:8176706] |
ChEMBL | Displacement of [3H]LTD4 from cysteinyl leukotriene receptor 1 in Hartley guinea pig parenchymal membrane after 30 mins by liquid scintillation counting method | B | 9.52 | pKi | 0.3 | nM | Ki | J Med Chem (2017) 60: 5235-5266 [PMID:28252961] |
ChEMBL | Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand | B | 9.52 | pKi | 0.3 | nM | Ki | J Med Chem (1998) 41: 1439-1445 [PMID:9554877] |
ChEMBL | Compound was evaluated for its ability to displace [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes | B | 9.52 | pKi | 0.3 | nM | Ki | J Med Chem (1991) 34: 1235-1242 [PMID:1849993] |
ChEMBL | Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes | B | 9.52 | pKi | 0.3 | nM | Ki | J Med Chem (1990) 33: 1781-1790 [PMID:2342072] |
ChEMBL | In vitro inhibition of [3H]LTD4 binding to guinea pig lung membrane | B | 7.36 | pIC50 | 44 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 965-970 [PMID:9871521] |
ChEMBL | Binding affinity against leukotriene D4 receptor in [3H]LTD4 binding assay | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 2451-2456 [PMID:9873560] |
ChEMBL | Concentration required for inhibition of binding of [3H]LTD4 to guinea pig lung membranes | B | 9.36 | pIC50 | 0.44 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 283-288 |
CysLT2 receptor/Cysteinyl leukotriene receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4330] [GtoPdb: 270] [UniProtKB: Q9NS75] | ||||||||
ChEMBL | Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay | F | 4.24 | pIC50 | 58000 | nM | IC50 | ACS Med Chem Lett (2016) 7: 335-339 [PMID:26985325] |
GtoPdb | - | - | 5.13 | pIC50 | 7397 | nM | IC50 | J Biol Chem (2000) 275: 30531-6 [PMID:10851239] |
ChEMBL | Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 addition by Aequorin luminescence assay | B | 5.13 | pIC50 | 7397 | nM | IC50 | J Med Chem (2015) 58: 6093-6113 [PMID:26200813] |
GtoPdb | - | - | 5.15 | pIC50 | 7000 | nM | IC50 | Br J Pharmacol (2010) 160: 399-409 [PMID:20423349] |
GtoPdb | - | - | 6.9 | pA2 | - | - | - | Prostaglandins Other Lipid Mediat (2015) 120: 115-25 [PMID:25839425] |
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 | 5.65 | pIC50 | 2257.5 | nM | IC50 | DrugMatrix in vitro pharmacology data |
cPLA2-4A/Cytosolic phospholipase A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3816] [GtoPdb: 1424] [UniProtKB: P47712] | ||||||||
ChEMBL | In vitro inhibition of cystolic phospholipase A2 alpha. | B | 4.07 | pIC50 | 85000 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4501-4504 [PMID:14643356] |
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
ChEMBL | Inhibitory concentration against Dopamine receptor D2 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 5.24 | pIC50 | 5751 | nM | IC50 | DrugMatrix in vitro pharmacology data |
epoxide hydrolase 2/Epoxide hydratase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2409] [GtoPdb: 2970] [UniProtKB: P34913] | ||||||||
ChEMBL | Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrofluorimetry | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2018) 61: 5758-5764 [PMID:29878767] |
GtoPdb | - | - | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2018) 61: 5758-5764 [PMID:29878767] |
GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
ChEMBL | Inhibition of Gamma-aminobutyric acid receptor | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
ChEMBL | Inhibitory concentration against H1 receptor | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
mitogen-activated protein kinase 3/MAP kinase ERK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.36 | pIC50 | 4376 | nM | IC50 | DrugMatrix in vitro pharmacology data |
mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 6.27 | pIC50 | 538 | nM | IC50 | DrugMatrix in vitro pharmacology data |
mitogen-activated protein kinase 14/MAP kinase p38 alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL260] [GtoPdb: 1499] [UniProtKB: Q16539] | ||||||||
ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) | B | 6.45 | pIC50 | 353 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
MATE2/Multidrug and toxin extrusion protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743127] [GtoPdb: 1217] [UniProtKB: Q86VL8] | ||||||||
ChEMBL | Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 5.12 | pIC50 | 7600 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
ChEMBL | Inhibitory concentration against Opioid receptor mu 1 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
GtoPdb | - | - | 5.61 | pEC50 | 2440 | nM | EC50 | J Med Chem (2018) 61: 5758-5764 [PMID:29878767] |
ChEMBL | Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay | B | 5.61 | pEC50 | 2440 | nM | EC50 | J Med Chem (2018) 61: 5758-5764 [PMID:29878767] |
Platelet activating factor receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5136] [UniProtKB: P21556] | ||||||||
ChEMBL | Displacement of [3H]ligand from platelet activating factor (PAF) receptor in rabbit platelets | B | 4.3 | pKi | >50000 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 1377-1382 |
mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684] | ||||||||
ChEMBL | Inhibition of microsomal PGES1 in ILbeta/TNFalpha-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by LC-MS/MS analysis | B | 4.74 | pIC50 | 18100 | nM | IC50 | Medchemcomm (2015) 6: 2081-2123 |
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
ChEMBL | Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | B | 5.01 | pIC50 | 9700 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557] | ||||||||
ChEMBL | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | B | 5.42 | pIC50 | 3810 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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]