Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50355122'   

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 3A4 (Homo sapiens (Human))	BDBM50355122 (CHEMBL1835784) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(C)C(=O)C2CCCC12 |r,t:18| Show InChI InChI=1S/C22H31N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t16-,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 6126-30 (2011) Article DOI: 10.1016/j.bmcl.2011.08.045 BindingDB Entry DOI: 10.7270/Q2T72JFP
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