Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50035842   

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))	BDBM50014307 (10-Difluoromethyl-13-methyl-1,6,7,8,9,10,11,12,13,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(F)F)C1CCC2=O |t:8| Show InChI InChI=1S/C19H24F2O2/c1-18-8-7-15-13(14(18)4-5-16(18)23)3-2-11-10-12(22)6-9-19(11,15)17(20)21/h10,13-15,17H,2-9H2,1H3/t13?,14?,15?,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011771 (13-Methyl-10-thiiranyl-1,6,7,8,9,10,11,12,13,14,15...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CS3)C1CCC2=O |t:8| Show InChI InChI=1S/C20H26O2S/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10044 ((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...) Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8| Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014316 (7-(4-Azido-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(cc1)N=[N+]=[N-] |t:15| Show InChI InChI=1S/C25H29N3O2S/c1-24-11-9-17(29)13-15(24)14-21(31-18-5-3-16(4-6-18)27-28-26)23-19-7-8-22(30)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014316 (7-(4-Azido-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(cc1)N=[N+]=[N-] |t:15| Show InChI InChI=1S/C25H29N3O2S/c1-24-11-9-17(29)13-15(24)14-21(31-18-5-3-16(4-6-18)27-28-26)23-19-7-8-22(30)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014299 (2,2,10,13-Tetramethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)C(C)(C)C[C@]34C)C1CCC2=O |t:8| Show InChI InChI=1S/C21H30O2/c1-19(2)12-21(4)13(11-18(19)23)5-6-14-15-7-8-17(22)20(15,3)10-9-16(14)21/h11,14-16H,5-10,12H2,1-4H3/t14?,15?,16?,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50014310 (13-Methyl-10-vinyl-1,6,7,8,9,10,11,12,13,14,15,16-...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CCC2=O |t:8| Show InChI InChI=1S/C20H26O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h3,12,15-17H,1,4-11H2,2H3/t15?,16?,17?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014302 (10,13-Dimethyl-3-methylene-1,2,3,6,7,8,9,10,11,12,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=C)CC[C@]34C)C1CCC2=O |t:8| Show InChI InChI=1S/C20H28O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h12,15-17H,1,4-11H2,2-3H3/t15?,16?,17?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014319 (9-Hydroxy-2-phenyl-benzo[h]chromen-4-one | CHEMBL3...) Show SMILES Oc1ccc2ccc3c(oc(cc3=O)-c3ccccc3)c2c1 Show InChI InChI=1S/C19H12O3/c20-14-8-6-12-7-9-15-17(21)11-18(13-4-2-1-3-5-13)22-19(15)16(12)10-14/h1-11,20H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011774 (13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]34C3CO3)C1CCC2=O |t:8| Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014311 (10-Ethyl-13-methyl-1,6,7,8,9,10,11,12,13,14,15,16-...) Show SMILES CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:7| Show InChI InChI=1S/C20H28O2/c1-3-20-11-8-14(21)12-13(20)4-5-15-16-6-7-18(22)19(16,2)10-9-17(15)20/h12,15-17H,3-11H2,1-2H3/t15?,16?,17?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50014309 (7-(4-Iodo-phenylsulfanyl)-10,13-dimethyl-1,6,7,8,9...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(I)cc1 |t:15| Show InChI InChI=1S/C25H29IO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14H2,1-2H3/t19?,20?,21-,23?,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50014320 (8-Chloro-5-(4-chloro-phenyl)-5H-indeno[1,2-d]pyrim...) Show SMILES Clc1ccc(cc1)C1c2ccc(Cl)cc2-c2ncncc12 Show InChI InChI=1S/C17H10Cl2N2/c18-11-3-1-10(2-4-11)16-13-6-5-12(19)7-14(13)17-15(16)8-20-9-21-17/h1-9,16H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50014324 (5-[Bis-(4-chloro-phenyl)-methyl]-pyrimidine | 5-[B...) Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1cncnc1 Show InChI InChI=1S/C17H12Cl2N2/c18-15-5-1-12(2-6-15)17(14-9-20-11-21-10-14)13-3-7-16(19)8-4-13/h1-11,17H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014308 (4-Amino-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15...) Show SMILES C[C@]12CCC3C(CCC4C(=N)C(=O)CC[C@]34C)C1CCC2=O Show InChI InChI=1S/C19H27NO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,20H,3-10H2,1-2H3/t11?,12?,13?,14?,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332807 ((8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,7,8,9,10,11...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h5,14-16H,3-4,6-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14?,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014312 (13-Methyl-10-propenyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C\C=C\[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8| Show InChI InChI=1S/C21H28O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h3,10,13,16-18H,4-9,11-12H2,1-2H3/b10-3+/t16?,17?,18?,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011775 (13-Methyl-10-oxiranyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CO3)C1CCC2=O |t:8| Show InChI InChI=1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011770 (13-Methyl-10-thiiranyl-1,6,7,8,9,10,11,12,13,14,15...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C3CS3)C1CCC2=O |t:8| Show InChI InChI=1S/C20H26O2S/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50421878 (CHEMBL2311178) Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:6,12,t:8| Show InChI InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM91718 (Androst-1,4-dien-3,17-dione, 7) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:12,t:8| Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					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	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014301 (10,13-Dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dod...) Show SMILES C[C@@]12CCCC1C1CCC3=CC(=O)C=C[C@]3(C)C1CC2 |c:14,t:10| Show InChI InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11-12,15-17H,3-6,8-10H2,1-2H3/t15?,16?,17?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014322 (13-Methyl-10-propyl-1,6,7,8,9,10,11,12,13,14,15,16...) Show SMILES CCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |c:8| Show InChI InChI=1S/C21H30O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h13,16-18H,3-12H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50014318 (Bromo-acetic acid 6-bromo-10,13-dimethyl-3-oxo-2,3...) Show SMILES C[C@]12CCC3C(C[C@@H](Br)C4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)CBr |t:9| Show InChI InChI=1S/C21H28Br2O3/c1-20-7-5-12(24)9-16(20)17(23)10-13-14-3-4-18(26-19(25)11-22)21(14,2)8-6-15(13)20/h9,13-15,17-18H,3-8,10-11H2,1-2H3/t13?,14?,15?,17-,18+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014304 (2-Bromo-N-[4-(10,13-dimethyl-3,17-dioxo-2,3,6,7,8,...) Show SMILES C[C@]12CCC3C(C1CCC2=O)[C@@H](CC1=CC(=O)CC[C@]31C)Sc1ccc(NC(=O)CBr)cc1 |t:15| Show InChI InChI=1S/C27H32BrNO3S/c1-26-11-9-18(30)13-16(26)14-22(33-19-5-3-17(4-6-19)29-24(32)15-28)25-20-7-8-23(31)27(20,2)12-10-21(25)26/h3-6,13,20-22,25H,7-12,14-15H2,1-2H3,(H,29,32)/t20?,21?,22-,25?,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014325 (10a,12a-Dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-deca...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC(=O)O2 |c:12,t:8| Show InChI InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50014315 ((rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)me...) Show SMILES Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014306 (1-[2-(4-Chloro-benzyloxy)-2-(2,4-dichloro-phenyl)-...) Show SMILES Clc1ccc(COC(Cn2cccc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H16Cl3NO/c20-15-5-3-14(4-6-15)13-24-19(12-23-9-1-2-10-23)17-8-7-16(21)11-18(17)22/h1-11,19H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014305 (10-Difluoromethyl-4-hydroxy-13-methyl-1,6,7,8,9,10...) Show SMILES C[C@]12CCC3C(CCC4C(=O)C(=O)CC[C@]34C(F)F)C1CCC2=O Show InChI InChI=1S/C19H24F2O3/c1-18-8-6-12-10(11(18)4-5-15(18)23)2-3-13-16(24)14(22)7-9-19(12,13)17(20)21/h10-13,17H,2-9H2,1H3/t10?,11?,12?,13?,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					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	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 activity 6 hr after oral administration				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair