Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50116580'   

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))	BDBM50116580 (CHEMBL3609201) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W
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