Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C18' and Ligand = 'BDBM50105813'   

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))	BDBM50105813 (4-Allyl-N-benzyl-N-(2-phenyl-2H-pyrazol-3-yl)-benz...) Show SMILES C=CCc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C25H23N3O2S/c1-2-9-21-14-16-24(17-15-21)31(29,30)27(20-22-10-5-3-6-11-22)25-18-19-26-28(25)23-12-7-4-8-13-23/h2-8,10-19H,1,9,20H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+5	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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