Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM249216'   

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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM249216 (US9458135, 4) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc(COc2cc(C)cc(n2)C(F)(F)F)c1 Show InChI InChI=1S/C23H20F3N3O2/c1-14-7-20(23(24,25)26)28-21(8-14)31-13-15-9-18(12-27-11-15)16-3-5-19-17(10-16)4-6-22(30)29(19)2/h3,5,7-12H,4,6,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
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