Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005821   

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))	BDBM50041376 ((R)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041369 ((R)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041361 ((S)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,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	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041371 ((S)-10,13-Dimethyl-6-vinyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h4,12-13,15-17H,1,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041362 ((S)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,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	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041366 ((S)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041365 ((R)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041367 ((R)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041375 ((R)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041372 ((S)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/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
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041370 ((R)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8| Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041364 ((S)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041363 ((R)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041373 ((S)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8| Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,24?,25?/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
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041368 ((S)-6-Ethynyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13...) Show SMILES CC12CCC3C(C[C@@H](C#C)C4=CC(=O)CCC34C)C1CCC2=O |t:10| Show InChI InChI=1S/C21H26O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h1,12-13,15-17H,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041374 ((S)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for human placental microsome aromatase Cytochrome P450 19A1				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041376 ((R)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041369 ((R)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m1/s1	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041361 ((S)-6-Ethyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:23| Show InChI InChI=1S/C21H30O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h12-13,15-17H,4-11H2,1-3H3/t13-,15?,16?,17?,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	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041371 ((S)-10,13-Dimethyl-6-vinyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CC12CCC3C(C[C@@H](C=C)C4=CC(=O)CCC34C)C1CCC2=O |t:10| Show InChI InChI=1S/C21H28O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h4,12-13,15-17H,1,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	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	320	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041362 ((S)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,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	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041366 ((S)-10,13-Dimethyl-6-propyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h13-14,16-18H,4-12H2,1-3H3/t14-,16?,17?,18?,21?,22?/m0/s1	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041365 ((R)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m1/s1	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041367 ((R)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m0/s1	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	660	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041375 ((R)-6,10,13-Trimethyl-1,6,7,8,9,10,11,12,13,14,15,...) Show SMILES C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:22| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14?,15?,16?,19?,20?/m1/s1	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	720	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041372 ((S)-6-Butyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,1...) Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:25| Show InChI InChI=1S/C23H34O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h14-15,17-19H,4-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1	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	790	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041364 ((S)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m0/s1	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041370 ((R)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8| Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,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	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041363 ((R)-6-Isopropyl-10,13-dimethyl-1,6,7,8,9,10,11,12,...) Show SMILES CC(C)[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:24| Show InChI InChI=1S/C22H32O2/c1-13(2)15-12-16-17-5-6-20(24)22(17,4)10-8-18(16)21(3)9-7-14(23)11-19(15)21/h11,13,15-18H,5-10,12H2,1-4H3/t15-,16?,17?,18?,21?,22?/m1/s1	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair				3D Structure (docked)
Aromatase (Homo sapiens (Human))	BDBM50041373 ((S)-10,13-Dimethyl-6-phenyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@H](C4=CC(=O)CCC34C)c3ccccc3)C1CCC2=O |t:8| Show InChI InChI=1S/C25H30O2/c1-24-12-10-17(26)14-22(24)18(16-6-4-3-5-7-16)15-19-20-8-9-23(27)25(20,2)13-11-21(19)24/h3-7,14,18-21H,8-13,15H2,1-2H3/t18-,19?,20?,21?,24?,25?/m0/s1	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041368 ((S)-6-Ethynyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13...) Show SMILES CC12CCC3C(C[C@@H](C#C)C4=CC(=O)CCC34C)C1CCC2=O |t:10| Show InChI InChI=1S/C21H26O2/c1-4-13-11-15-16-5-6-19(23)21(16,3)10-8-17(15)20(2)9-7-14(22)12-18(13)20/h1,12-13,15-17H,5-11H2,2-3H3/t13-,15?,16?,17?,20?,21?/m1/s1	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50041374 ((S)-6-Benzyl-10,13-dimethyl-1,6,7,8,9,10,11,12,13,...) Show SMILES CC12CCC3C(C[C@@H](Cc4ccccc4)C4=CC(=O)CCC34C)C1CCC2=O |t:16| Show InChI InChI=1S/C26H32O2/c1-25-12-10-19(27)16-23(25)18(14-17-6-4-3-5-7-17)15-20-21-8-9-24(28)26(21,2)13-11-22(20)25/h3-7,16,18,20-22H,8-15H2,1-2H3/t18-,20?,21?,22?,25?,26?/m1/s1	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min				J Med Chem 37: 1312-9 (1994) BindingDB Entry DOI: 10.7270/Q2NZ86PN
					More data for this Ligand-Target Pair