Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50019538'   

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))	BDBM50019538 (CHEMBL3291106) Show SMILES NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl Show InChI InChI=1S/C14H11Cl3N4O3S2/c15-7-1-3-8(4-2-7)19-14(25)21-20-13(22)9-5-12(26(18,23)24)11(17)6-10(9)16/h1-6H,(H,20,22)(H2,18,23,24)(H2,19,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...				Eur J Med Chem 82: 47-55 (2014) Article DOI: 10.1016/j.ejmech.2014.05.039 BindingDB Entry DOI: 10.7270/Q2X63PH6
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