Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM12931'   

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))	BDBM12931 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2-ac...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C18H24N6O8S/c1-9(26)21-14-16(28)15(27)13(8-25)32-18(14)24-7-11(22-23-24)6-20-17(29)10-2-4-12(5-3-10)33(19,30)31/h2-5,7,13-16,18,25,27-28H,6,8H2,1H3,(H,20,29)(H,21,26)(H2,19,30,31)/t13-,14-,15-,16-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.7	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 recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
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