Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50171019'   

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 2 (Homo sapiens (Human))	BDBM50171019 (4-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)car...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C16H18N4O4S2/c17-26(23,24)14-7-1-11(2-8-14)9-10-18-16(25)20-19-13-5-3-12(4-6-13)15(21)22/h1-8,19H,9-10H2,(H,21,22)(H2,17,23,24)(H2,18,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
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