Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50190238'   

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 12 (Homo sapiens (Human))	BDBM50190238 (2-(aminosulfonyl)-5-chloro-4-methylphenyl -N-(4-ni...) Show SMILES CCC(Sc1cc(Cl)c(C)cc1S(N)(=O)=O)=NNc1ccc(cc1)[N+]([O-])=O |w:16.17| Show InChI InChI=1S/C16H17ClN4O4S2/c1-3-16(20-19-11-4-6-12(7-5-11)21(22)23)26-14-9-13(17)10(2)8-15(14)27(18,24)25/h4-9,19H,3H2,1-2H3,(H2,18,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
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