Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50190239'   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50190239 (CHEMBL215548 | N-benzyl-4-{[4-(benzylcarbamoyl)-5-...) Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24Cl2N4O6S4/c29-21-13-23(25(43(31,37)38)11-19(21)27(35)33-15-17-7-3-1-4-8-17)41-42-24-14-22(30)20(12-26(24)44(32,39)40)28(36)34-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,33,35)(H,34,36)(H2,31,37,38)(H2,32,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
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