Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50261760'   

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 1 (Homo sapiens (Human))	BDBM50261760 (4-(4-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)13-4-2-1-3-12(13)14-9-22(21-20-14)10-5-7-11(8-6-10)25(19,23)24/h1-9H,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 18: 4624-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.010 BindingDB Entry DOI: 10.7270/Q2959JF0
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