Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50028564'   

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))	BDBM50028564 (CHEMBL3342503) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccccc1)n(C(=O)c1ccccc1)c2=O Show InChI InChI=1S/C31H21BrN4O4S/c32-23-13-11-20(12-14-23)26-19-35(24-15-17-25(18-16-24)41(33,39)40)29-27(26)31(38)36(30(37)22-9-5-2-6-10-22)28(34-29)21-7-3-1-4-8-21/h1-19H,(H2,33,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Eur J Med Chem 87: 186-96 (2014) Article DOI: 10.1016/j.ejmech.2014.09.059 BindingDB Entry DOI: 10.7270/Q2PG1T90
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