Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50354345'   

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))	BDBM50354345 (CHEMBL1836625) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)Cc1nnn(c1I)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C23H27IN4O13S2/c1-11(29)37-9-18-19(38-12(2)30)20(39-13(3)31)21(40-14(4)32)23(41-18)42(33,34)10-17-22(24)28(27-26-17)15-5-7-16(8-6-15)43(25,35)36/h5-8,18-21,23H,9-10H2,1-4H3,(H2,25,35,36)/t18-,19-,20+,21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	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 based stopped flow assay				J Med Chem 54: 6905-18 (2011) Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ
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