Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50428441'   

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 (Drosophila melanogaster)	BDBM50428441 (CHEMBL2334358) Show SMILES [S-]C(=S)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C13H14N2S2/c14-9-10-1-3-11(4-2-10)12-5-7-15(8-6-12)13(16)17/h1-4,12H,5-8H2,(H,16,17)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
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