Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase, alpha family' and Ligand = 'BDBM10866'   

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, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10866 (4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...) Show SMILES Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
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