Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50037216'   

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))	BDBM50037216 (CHEMBL3356277) Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H12FN5O3S2/c18-12-3-1-10(2-4-12)16-11(8-20-24)9-23(22-16)17-21-14-6-5-13(28(19,25)26)7-15(14)27-17/h1-9,24H,(H2,19,25,26)/b20-8+	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	224	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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