Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM371190'   

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))	BDBM371190 (US10239843, Example 297) Show SMILES Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1 Show InChI InChI=1S/C21H25N5O5S/c1-21(5-6-21)23-32(29,30)16-3-4-18-17(7-16)19(27)26(10-14-8-22-24(2)9-14)20(28)25(18)11-15-12-31-13-15/h3-4,7-9,15,23H,5-6,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 10767-10792 (2018) Article DOI: 10.1021/acs.jmedchem.8b01407 BindingDB Entry DOI: 10.7270/Q2TM7DTN
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