Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50039150'   

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))	BDBM50039150 (13-Methyl-1,3,4,8,9,10,11,12,13,14,15,16-dodecahyd...) Show SMILES CC12CCC3C4CCCCC4=CC(=O)C3C1CCC2=O |c:11| Show InChI InChI=1S/C18H24O2/c1-18-9-8-13-12-5-3-2-4-11(12)10-15(19)17(13)14(18)6-7-16(18)20/h10,12-14,17H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	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 The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50039150 (13-Methyl-1,3,4,8,9,10,11,12,13,14,15,16-dodecahyd...) Show SMILES CC12CCC3C4CCCCC4=CC(=O)C3C1CCC2=O |c:11| Show InChI InChI=1S/C18H24O2/c1-18-9-8-13-12-5-3-2-4-11(12)10-15(19)17(13)14(18)6-7-16(18)20/h10,12-14,17H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	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 Time dependent inactivation of Cytochrome P450 19A1 was obtained by kitz-wilson plot				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50039150 (13-Methyl-1,3,4,8,9,10,11,12,13,14,15,16-dodecahyd...) Show SMILES CC12CCC3C4CCCCC4=CC(=O)C3C1CCC2=O |c:11| Show InChI InChI=1S/C18H24O2/c1-18-9-8-13-12-5-3-2-4-11(12)10-15(19)17(13)14(18)6-7-16(18)20/h10,12-14,17H,2-9H2,1H3	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	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description In vitro competetitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes				J Med Chem 37: 2198-205 (1994) BindingDB Entry DOI: 10.7270/Q22F7MG3
					More data for this Ligand-Target Pair