Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50011762'   

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))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1 Aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1 Aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of estrogen production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of progesterone production in hamster ovarian tissue				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50011762 ((1R,5S)1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza...) Show SMILES Nc1ccc(cc1)C12CC1C(=O)N(CC1CCCCC1)C2=O Show InChI InChI=1S/C18H22N2O2/c19-14-8-6-13(7-9-14)18-10-15(18)16(21)20(17(18)22)11-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG. Curated by ChEMBL					Assay Description In vitro inhibition of human placental Cytochrome P450 19A aromatase				J Med Chem 34: 1329-34 (1991) BindingDB Entry DOI: 10.7270/Q2QN65RW
					More data for this Ligand-Target Pair