Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'vinh' and Initial = 'tk'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM10007 (4-[(6-methoxy-1-benzofuran-2-yl)(1H-1,2,4-triazol-...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C19H14N4O2/c1-24-16-7-6-15-8-18(25-17(15)9-16)19(23-12-21-11-22-23)14-4-2-13(10-20)3-5-14/h2-9,11-12,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10013 (4-[(6-Hydroxybenzofuran-2-yl)-[1,2,4]triazol-1-ylm...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C18H12N4O2/c19-9-12-1-3-13(4-2-12)18(22-11-20-10-21-22)17-7-14-5-6-15(23)8-16(14)24-17/h1-8,10-11,18,23H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10000 ((4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1 Show InChI InChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10005 (1-[(4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C18H14ClN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10004 (1-[(4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)me...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1 Show InChI InChI=1S/C18H14FN3O2/c1-23-15-7-4-13-8-17(24-16(13)9-15)18(22-11-20-10-21-22)12-2-5-14(19)6-3-12/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10001 ((4-chlorophenyl)(6-methoxy-1-benzofuran-2-yl)pyrid...) Show SMILES COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1 Show InChI InChI=1S/C21H16ClNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10014 (2-[(4-Nitrophenyl)-[1,2,4]triazol-1-ylmethyl]benzo...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1 Show InChI InChI=1S/C17H12N4O4/c22-14-6-3-12-7-16(25-15(12)8-14)17(20-10-18-9-19-20)11-1-4-13(5-2-11)21(23)24/h1-10,17,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10009 (1-[(6-Methoxybenzofuran-2-yl)-p-tolylmethyl]-1H-1,...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1 Show InChI InChI=1S/C19H17N3O2/c1-13-3-5-14(6-4-13)19(22-12-20-11-21-22)18-9-15-7-8-16(23-2)10-17(15)24-18/h3-12,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10006 (1-[(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)met...) Show SMILES COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1 Show InChI InChI=1S/C19H17N3O3/c1-23-15-6-3-13(4-7-15)19(22-12-20-11-21-22)18-9-14-5-8-16(24-2)10-17(14)25-18/h3-12,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10010 (1-[(6-Methoxybenzofuran-2-yl)-(4-trifluoromethylph...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)C(F)(F)F)n1cncn1 Show InChI InChI=1S/C19H14F3N3O2/c1-26-15-7-4-13-8-17(27-16(13)9-15)18(25-11-23-10-24-25)12-2-5-14(6-3-12)19(20,21)22/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10003 (1-[(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)met...) Show SMILES COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1ccnc1 Show InChI InChI=1S/C20H18N2O3/c1-23-16-6-3-14(4-7-16)20(22-10-9-21-13-22)19-11-15-5-8-17(24-2)12-18(15)25-19/h3-13,20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10002 ((6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyr...) Show SMILES COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1 Show InChI InChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079818 (1-[(2,3-Dihydro-benzofuran-2-yl)-(4-fluoro-phenyl)...) Show SMILES Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1 Show InChI InChI=1S/C17H14FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079814 (1-[(4-Chloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)...) Show SMILES Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1 Show InChI InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079820 (1-[(2,3-Dihydro-benzofuran-2-yl)-p-tolyl-methyl]-1...) Show SMILES Cc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1 Show InChI InChI=1S/C18H17N3O/c1-13-6-8-14(9-7-13)18(21-12-19-11-20-21)17-10-15-4-2-3-5-16(15)22-17/h2-9,11-12,17-18H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10008 (1-[(6-Methoxybenzofuran-2-yl)-(4-nitrophenyl)methy...) Show SMILES COc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1 Show InChI InChI=1S/C18H14N4O4/c1-25-15-7-4-13-8-17(26-16(13)9-15)18(21-11-19-10-20-21)12-2-5-14(6-3-12)22(23)24/h2-11,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079816 (1-[(2,4-Dichloro-phenyl)-(2,3-dihydro-benzofuran-2...) Show SMILES Clc1ccc(C(C2Cc3ccccc3O2)n2cncn2)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3O/c18-12-5-6-13(14(19)8-12)17(22-10-20-9-21-22)16-7-11-3-1-2-4-15(11)23-16/h1-6,8-10,16-17H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10011 (1-[(4-ethylphenyl)(6-methoxy-1-benzofuran-2-yl)met...) Show SMILES CCc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1 Show InChI InChI=1S/C20H19N3O2/c1-3-14-4-6-15(7-5-14)20(23-13-21-12-22-23)19-10-16-8-9-17(24-2)11-18(16)25-19/h4-13,20H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10012 (2-[(4-Chlorophenyl)-[1,2,4]triazol-1-ylmethyl]benz...) Show SMILES Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C17H12ClN3O2/c18-13-4-1-11(2-5-13)17(21-10-19-9-20-21)16-7-12-3-6-14(22)8-15(12)23-16/h1-10,17,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	7.4	37
Cardiff University					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. Afte...				J Med Chem 49: 1016-22 (2006) Article DOI: 10.1021/jm0508282 BindingDB Entry DOI: 10.7270/Q2NK3C76
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079817 (1-[(2,3-Dihydro-benzofuran-2-yl)-(4-fluoro-phenyl)...) Show SMILES Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1 Show InChI InChI=1S/C16H13FN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-8,10,15-16H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079815 (1-[(4-Chloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)...) Show SMILES Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cnnn1 Show InChI InChI=1S/C16H13ClN4O/c17-13-7-5-11(6-8-13)16(21-10-18-19-20-21)15-9-12-3-1-2-4-14(12)22-15/h1-8,10,15-16H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85568 (7-Hydroxy-flavone, 5c) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85567 (7-Hydroxy-flavone, 5b) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1 Show InChI InChI=1S/C15H9FO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM26664 (7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011438 (2-(4-Amino-phenyl)-7-hydroxy-chromen-4-one | 2-(4-...) Show SMILES Nc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85570 (7-Hydroxy-flavone, 5e) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(=O)=O Show InChI InChI=1S/C15H9NO5/c17-11-5-6-12-13(18)8-14(21-15(12)7-11)9-1-3-10(4-2-9)16(19)20/h1-8,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50079819 (1-[(2,4-Dichloro-phenyl)-(2,3-dihydro-benzofuran-2...) Show SMILES Clc1ccc(C(C2Cc3ccccc3O2)n2cnnn2)c(Cl)c1 Show InChI InChI=1S/C16H12Cl2N4O/c17-11-5-6-12(13(18)8-11)16(22-9-19-20-21-22)15-7-10-3-1-2-4-14(10)23-15/h1-6,8-9,15-16H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase, cytochrome P450 19A1				Bioorg Med Chem Lett 9: 2105-8 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85571 (7-Hydroxy-flavone, 5f) Show SMILES Cc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C16H12O3/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85573 (7-Hydroxy-flavone, 5h) Show SMILES COc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85575 (7-Hydroxy-flavone, 8) Show SMILES OC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C18H12O5/c19-13-6-7-14-15(20)10-16(23-17(14)9-13)12-4-1-11(2-5-12)3-8-18(21)22/h1-10,19H,(H,21,22)/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85569 (7-Hydroxy-flavone, 5d) Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(I)cc1 Show InChI InChI=1S/C15H9IO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85574 (7-Hydroxy-flavone, 7) Show SMILES CCOC(=O)\C=C\c1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C20H16O5/c1-2-24-20(23)10-5-13-3-6-14(7-4-13)18-12-17(22)16-9-8-15(21)11-19(16)25-18/h3-12,21H,2H2,1H3/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM85572 (7-Hydroxy-flavone, 5g) Show SMILES CCCCc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C19H18O3/c1-2-3-4-13-5-7-14(8-6-13)18-12-17(21)16-10-9-15(20)11-19(16)22-18/h5-12,20H,2-4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Cardiff University					Assay Description The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.				J Enzym Inhib 16: 417-24 (2001) Article DOI: 10.1080/14756360109162390 BindingDB Entry DOI: 10.7270/Q2FJ2FBS
					More data for this Ligand-Target Pair