biochanin A [Ligand Id: 2829] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL131921 (NSC-123538)
  • Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
  • This target only has 0 pki data point
  • 0
1 CHEMBL131921_lig_chart_1 Aldo-keto reductase family 1 member B10 Human
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
  • This target only has 1 pki data point
  • 5
2 CHEMBL131921_lig_chart_2 Carbonic anhydrase I Human
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
  • This target only has 1 pki data point
  • 5
3 CHEMBL131921_lig_chart_3 Carbonic anhydrase II Human
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
  • This target only has 1 pki data point
  • 5.15
4 CHEMBL131921_lig_chart_4 Carbonic anhydrase IV Human
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
  • This target only has 1 pki data point
  • 6.43
5 CHEMBL131921_lig_chart_5 Carbonic anhydrase VII Human
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
  • This target only has 1 pki data point
  • 7.28
6 CHEMBL131921_lig_chart_6 Carbonic anhydrase XII Human
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  • CBR1/Carbonyl reductase [NADPH] 1 in Human [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152]
  • This target only has 1 pki data point
  • 5.69
7 CHEMBL131921_lig_chart_7 Carbonyl reductase [NADPH] 1 Human
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  • CYP19A1/Cytochrome P450 19A1 in Human [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
  • 4.92
8 CHEMBL131921_lig_chart_8 Cytochrome P450 19A1 Human
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  • CYP1B1/Cytochrome P450 1B1 in Human [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
  • This target only has 1 pki data point
  • 5.72
9 CHEMBL131921_lig_chart_9 Cytochrome P450 1B1 Human
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  • hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
  • This target only has 0 pki data point
  • 0
10 CHEMBL131921_lig_chart_10 Estradiol 17-beta-dehydrogenase 2 Human
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  • Fatty acid synthase in Plasmodium falciparum [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
  • This target only has 0 pki data point
  • 0
11 CHEMBL131921_lig_chart_11 Fatty acid synthase Plasmodium falciparum
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  • Pancreatic triacylglycerol lipase in Pig [ChEMBL: CHEMBL1687677] [UniProtKB: P00591]
  • This target only has 0 pki data point
  • 0
12 CHEMBL131921_lig_chart_12 Pancreatic triacylglycerol lipase Pig
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
13 CHEMBL131921_lig_chart_13 Plasmodium falciparum Plasmodium falciparum
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method B 4.44 pIC50 36100 nM IC50 J. Nat. Prod. (2015) 78: 2666-2674 [PMID:26529431]
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
ChEMBL Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 5.15 pKi 7078.5 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 6.43 pKi 371.5 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay B 7.28 pKi 52.5 nM Ki Bioorg. Med. Chem. (2015) 23: 7219-7225 [PMID:26498393]
CBR1/Carbonyl reductase [NADPH] 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152]
ChEMBL Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate B 5.69 pKi 2030 nM Ki Bioorg. Med. Chem. (2009) 17: 530-536 [PMID:19097799]
ChEMBL Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate B 4.9 pIC50 12710 nM IC50 Bioorg. Med. Chem. (2009) 17: 530-536 [PMID:19097799]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Apparent Ki against human aromatase B 4.92 pKi 12000 nM Ki J. Med. Chem. (2004) 47: 4032-4040 [PMID:15267241]
ChEMBL Inhibitory constant against human placental atomatase at pH 7.0 and 37 degree C B 4.92 pKi 12000 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 4063-4070 [PMID:15911319]
ChEMBL Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counting method B 4.92 pKi 12000 nM Ki Eur J Med Chem (2019) 177: 116-143 [PMID:31129450]
ChEMBL Inhibitory concentration against human placental aromatase B 4.47 pIC50 34000 nM IC50 J. Med. Chem. (2004) 47: 4032-4040 [PMID:15267241]
ChEMBL Inhibitory concentration against human placental aromatase by deutirium oxide release B 4.47 pIC50 34000 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 4063-4070 [PMID:15911319]
ChEMBL Inhibitory concentration against human placental aromatase as logIC50 B 4.53 pIC50 4.53 nM Log IC50 J. Med. Chem. (2004) 47: 4032-4040 [PMID:15267241]
ChEMBL Inhibition of human placental microsome CYP19 B 7.99 pIC50 10.2 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 CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate after 3 mins in presence of NADP+ by fluorescence assay B 5.72 pKi 1900 nM Ki Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
ChEMBL Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol B 5 pIC50 9900 nM IC50 J. Med. Chem. (2008) 51: 4188-4199 [PMID:18533708]
ChEMBL Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method B 5 pIC50 9900 nM IC50 J Nat Prod (2017) 80: 965-974 [PMID:28319389]
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
ChEMBL Inhibition of FabZ B 5.1 pIC50 8000 nM IC50 J. Med. Chem. (2006) 49: 3345-3353 [PMID:16722653]
Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591]
ChEMBL Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 3455-3457 [PMID:26227773]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 4.46 pIC50 34300 nM IC50 J. Med. Chem. (2006) 49: 3345-3353 [PMID:16722653]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]