Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50135975'   

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))	BDBM50135975 (CHEMBL3752155) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(CCc2ccccc2)C2=CC(=O)C=C[C@]12C |r,c:31,t:16,27| Show InChI InChI=1S/C27H30O2/c1-26-14-12-20(28)17-24(26)19(9-8-18-6-4-3-5-7-18)16-21-22-10-11-25(29)27(22,2)15-13-23(21)26/h3-7,12,14,16-17,21-23H,8-11,13,15H2,1-2H3/t21-,22-,23-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD				Eur J Med Chem 105: 1-38 (2015) Article DOI: 10.1016/j.ejmech.2015.09.038 BindingDB Entry DOI: 10.7270/Q2W66NMZ
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