Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50459192'   

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))	BDBM50459192 (CHEMBL4205724) Show SMILES COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 Show InChI InChI=1S/C22H19N3O2/c1-27-17-11-16(12-23-13-17)25-21(15-7-3-2-4-8-15)22(26)19-14-24-20-10-6-5-9-18(19)20/h2-14,21,24-25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Cistim Leuven vzw Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 8390-8401 (2018) Article DOI: 10.1021/acs.jmedchem.8b00913 BindingDB Entry DOI: 10.7270/Q2Z03BSW
					More data for this Ligand-Target Pair