Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C18' and Ligand = 'BDBM50105811'   

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))	BDBM50105811 (3'-Nitro-biphenyl-4-sulfonic acid (4-hydroxy-butyl...) Show SMILES OCCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C25H24N4O5S/c30-18-5-4-17-27(25-15-16-26-28(25)22-8-2-1-3-9-22)35(33,34)24-13-11-20(12-14-24)21-7-6-10-23(19-21)29(31)32/h1-3,6-16,19,30H,4-5,17-18H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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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