Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50208750'   

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))	BDBM50208750 (1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 17: 2685-91 (2007) Article DOI: 10.1016/j.bmcl.2007.03.008 BindingDB Entry DOI: 10.7270/Q2VM4D3D
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