Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50015983'   

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))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with androstenedione				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 in human placenta				J Med Chem 33: 2673-9 (1990) BindingDB Entry DOI: 10.7270/Q29Z93WC
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	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	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human placental cytochrome P450 19A1 with testosterone				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human placental cytochrome P450 19A1				J Med Chem 30: 1550-4 (1987) BindingDB Entry DOI: 10.7270/Q2GM869Q
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50015983 ((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...) Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1 Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of aromatase cytochrome P450 19A1				Bioorg Med Chem Lett 5: 1673-1678 (1995) Article DOI: 10.1016/0960-894X(95)00258-U BindingDB Entry DOI: 10.7270/Q24T6JBH
					More data for this Ligand-Target Pair