Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50098367'   

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))	BDBM50098367 (CHEMBL3594405) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)CSc3nc(O)cc(=O)[nH]3)sc2c1 Show InChI InChI=1S/C13H11N5O5S3/c14-26(22,23)6-1-2-7-8(3-6)25-13(15-7)18-11(21)5-24-12-16-9(19)4-10(20)17-12/h1-4H,5H2,(H2,14,22,23)(H,15,18,21)(H2,16,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
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