Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50386716'   

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))	BDBM50386716 (CHEMBL2048918) Show SMILES COc1cc2CCN=C(c3ccc(cc3)S(N)(=O)=O)c2cc1OC |t:7| Show InChI InChI=1S/C17H18N2O4S/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)11-3-5-13(6-4-11)24(18,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
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