Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50040425'   

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))	BDBM50040425 (CHEMBL3360588) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCNC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-16(9-11-17)13-22-18(24)7-4-12-21-19(25)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,24)(H2,20,26,27)(H2,21,23,25)	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	457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 6768-75 (2015) Article DOI: 10.1016/j.bmc.2014.10.041 BindingDB Entry DOI: 10.7270/Q2697560
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