Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C18' and Ligand = 'BDBM50105810'   

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))	BDBM50105810 (3'-Amino-biphenyl-4-sulfonic acid (3-hydroxy-propy...) Show SMILES Nc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1 Show InChI InChI=1S/C24H24N4O3S/c25-21-7-4-6-20(18-21)19-10-12-23(13-11-19)32(30,31)27(16-5-17-29)24-14-15-26-28(24)22-8-2-1-3-9-22/h1-4,6-15,18,29H,5,16-17,25H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	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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