Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50398448'   

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))	BDBM50398448 (CHEMBL2179114) Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](OCC#CCO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:18,t:14| Show InChI InChI=1S/C23H28O4/c1-22-9-7-15(25)13-19(22)20(27-12-4-3-11-24)14-16-17-5-6-21(26)23(17,2)10-8-18(16)22/h7,9,13,16-18,20,24H,5-6,8,10-12,14H2,1-2H3/t16-,17-,18-,20+,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water method				J Med Chem 55: 8464-76 (2012) Article DOI: 10.1021/jm300930n BindingDB Entry DOI: 10.7270/Q2BZ675S
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