Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50494686'   

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))	BDBM50494686 (CHEMBL3092935) Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31-,32+,33-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	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 carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
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