Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50008340'   

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))	BDBM50008340 (CHEMBL3235171) Show SMILES CCOC(=O)NC(=S)N(CC(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H19N3O5S2/c1-2-26-18(23)20-17(27)21(12-16(22)13-6-4-3-5-7-13)14-8-10-15(11-9-14)28(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)(H,20,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydras...				Bioorg Med Chem Lett 24: 1776-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.030 BindingDB Entry DOI: 10.7270/Q25D8TC6
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