Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50318392'   

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))	BDBM50318392 ((3aS,9aS,9bS)-6,9-Dimethyl-3-methylene-3,3a,4,5,9a...) Show SMILES CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,c:5,t:1| Show InChI InChI=1S/C15H16O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,10,13-14H,3-5H2,1-2H3/t10-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human placental microsome CYP19				Bioorg Med Chem Lett 20: 3050-64 (2010) Article DOI: 10.1016/j.bmcl.2010.03.113 BindingDB Entry DOI: 10.7270/Q2CJ8FFS
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