Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50052665'   

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))	BDBM50052665 (Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-...) Show SMILES O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17| Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 in Human placental microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
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