Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50346728'   

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))	BDBM50346728 (CHEMBL1797792) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H30BN7O6S4/c1-3-20(4-2)33-16(28)15(21)7-5-6-12-23-17(34)24-13-8-10-14(11-9-13)37(31,32)27-18-25-26-19(35-18)36(22,29)30/h8-11,15H,3-7,12,21H2,1-2H3,(H,25,27)(H2,22,29,30)(H2,23,24,34)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
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