Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C18' and Ligand = 'BDBM50105807'   

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 2C18 (Homo sapiens (Human))	BDBM50105807 (4-(2-Amino-ethyl)-N-(3-hydroxy-propyl)-N-(2-phenyl...) Show SMILES NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H24N4O3S/c21-13-11-17-7-9-19(10-8-17)28(26,27)23(15-4-16-25)20-12-14-22-24(20)18-5-2-1-3-6-18/h1-3,5-10,12,14,25H,4,11,13,15-16,21H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris V Curated by ChEMBL					Assay Description Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain				J Med Chem 44: 3622-31 (2001) BindingDB Entry DOI: 10.7270/Q20Z72KC
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