Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50037252'   

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))	BDBM50037252 (CHEMBL3356257) Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H12N4O3S2/c18-26(23,24)13-6-7-14-15(8-13)25-17(19-14)21-9-12(10-22)16(20-21)11-4-2-1-3-5-11/h1-10H,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
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