flavone [Ligand Id: 409] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL275638 (2-phenyl-1,4-benzopyrone, 2-phenyl-.gamma.-benzopyrone, Asmacoril, Chromocor, Cromaril, Cromarile, Flavone, NSC-19028) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
| ChEMBL | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA displacement. | B | 5.48 | pKi | 3280 | nM | Ki | J Med Chem (1996) 39: 2293-2301 [PMID:8691424] |
| ChEMBL | Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes. | B | 5.48 | pKi | 3280 | nM | Ki | J Med Chem (1996) 39: 781-788 [PMID:8576921] |
| GtoPdb | - | - | 5.5 | pKi | - | - | - | J Med Chem (1996) 39: 2293-301 [PMID:8691424] |
| A2A receptor in Human [GtoPdb: 19] [UniProtKB: P29274] | ||||||||
| GtoPdb | - | - | 5.5 | pKi | - | - | - | J Med Chem (1996) 39: 2293-301 [PMID:8691424] |
| A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543] | ||||||||
| ChEMBL | Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement. | B | 5.46 | pKi | 3450 | nM | Ki | J Med Chem (1996) 39: 781-788 [PMID:8576921] |
| A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
| ChEMBL | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]AB-MECA 21680 radioligand. | B | 4.77 | pKi | 16900 | nM | Ki | J Med Chem (1996) 39: 2293-2301 [PMID:8691424] |
| ChEMBL | Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells | B | 4.77 | pKi | 16900 | nM | Ki | J Med Chem (1996) 39: 781-788 [PMID:8576921] |
| GtoPdb | - | - | 4.8 | pKi | - | - | - | J Med Chem (1996) 39: 2293-301 [PMID:8691424] |
| Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] | ||||||||
| ChEMBL | Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay | F | 5.23 | pIC50 | 5900 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 4706-4710 [PMID:19592245] |
| ChEMBL | Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay | F | 5.23 | pIC50 | 5900 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 4706-4710 [PMID:19592245] |
| Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
| ChEMBL | Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | B | 4.11 | pIC50 | 77624.71 | nM | IC50 | J Med Chem (2005) 48: 5666-5674 [PMID:16134935] |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | B | 4.59 | pIC50 | 26000 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| ChEMBL | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | B | 4.77 | pIC50 | 17000 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.72 | pKi | 1890 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.73 | pKi | 1880 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.06 | pKi | 8800 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.06 | pKi | 8710 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.37 | pKi | 4220 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.38 | pKi | 4130 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.13 | pKi | 7330 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.14 | pKi | 7220 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 5 | pIC50 | 10000 | nM | IC50 | Bioorg Med Chem (2014) 22: 126-134 [PMID:24345481] |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 5.1 | pIC50 | 8000 | nM | IC50 | Eur J Med Chem (2015) 102: 375-386 [PMID:26301554] |
| ChEMBL | Inhibition of human placental microsome CYP19 | B | 8.1 | pIC50 | 8 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADP+ by spectrofluorometeric analysis | B | 6.22 | pIC50 | 600 | nM | IC50 | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| Dihydroorotate dehydrogenase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3486] [UniProtKB: Q54A96] | ||||||||
| ChEMBL | Inhibition of Plasmodium falciparum DHOD | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 972-975 [PMID:19097788] |
| Dihydroorotate dehydrogenase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5621] [UniProtKB: P28272] | ||||||||
| ChEMBL | Inhibition of Saccharomyces cerevisiae DHOD | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 972-975 [PMID:19097788] |
| dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
| ChEMBL | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay | B | 6.77 | pIC50 | 170 | nM | IC50 | Eur J Med Chem (2018) 151: 145-157 [PMID:29609120] |
| protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527] | ||||||||
| ChEMBL | Inhibition of DNA dependent protein kinase isolated from HeLa cells | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2005) 48: 569-585 [PMID:15658870] |
| 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 | Binding affinity towards benzodiazepine site in GABAA receptor | B | 6 | pKi | 1000 | nM | Ki | J Med Chem (2001) 44: 1883-1891 [PMID:11384234] |
| ChEMBL | Inhibition of binding to GABA-A Benzodiazepine receptor | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (1999) 42: 3743-3778 [PMID:10508425] |
| GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419, 410, 416, 414, 408, 406, 413, 405, 407, 415, 409, 404, 412, 411, 417] [UniProtKB: O09028, P15431, P18506, P18508, P19969, P20236, P23574, P23576, P28471, P28473, P30191, P62813, P63079, P63138, Q91ZM7, Q9ES14] | ||||||||
| ChEMBL | In vitro affinity against Benzodiazepine receptor binding to rat cortical membranes (using [3H]- flumazenil as radioligand). | B | 5.38 | pKi | 4200 | nM | Ki | J Med Chem (1999) 42: 4343-4350 [PMID:10543878] |
| ChEMBL | Ability to inhibit [3H]-Ro- 15-1788 binding to Gamma-aminobutyric acid A receptor alpha in vitro in rat cortical membranes | B | 5.38 | pKi | 4200 | nM | Ki | J Med Chem (2002) 45: 4188-4201 [PMID:12213060] |
| ChEMBL | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine receptor of rat cerebral cortical membrane | B | 6 | pKi | 1000 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2003-2008 |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Binding affinity to ABCB1 nucleotide binding domain 2 | B | 4.47 | pKd | 33884.42 | nM | Kd | Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.22 | pIC50 | 60800 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum DD2 expressing Saccharomyces cerevisiae DHOD by [3H]hypoxanthine uptake | F | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 972-975 [PMID:19097788] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum DD2 by [3H]hypoxanthine uptake | F | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 972-975 [PMID:19097788] |
| poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874] | ||||||||
| ChEMBL | Inhibition of human recombinant ARTD1 by fluorescence assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
| ChEMBL | Inhibition of human recombinant ARTD1 by fluorescence assay | B | 5.86 | pIC50 | 1380.38 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
| tankyrase/Tankyrase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271] | ||||||||
| ChEMBL | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence assay | B | 6.48 | pIC50 | 330 | nM | IC50 | J Med Chem (2013) 56: 7880-7889 [PMID:24116873] |
| ChEMBL | Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay | B | 6.49 | pIC50 | 323.59 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
| ChEMBL | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence assay | B | 6.49 | pIC50 | 323.59 | nM | IC50 | J Med Chem (2013) 56: 7880-7889 [PMID:24116873] |
| ChEMBL | Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay | B | 6.49 | pIC50 | 320 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
| tankyrase 2/Tankyrase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2] | ||||||||
| ChEMBL | Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay | B | 6.83 | pIC50 | 147.91 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
| ChEMBL | Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
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]
