Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM50494692'   

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 14 (Homo sapiens (Human))	BDBM50494692 (CHEMBL3092816) Show SMILES CC(C)CC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-19(2)13-27(39)45-18-26-31(47-28(40)14-20(3)4)32(48-29(41)15-21(5)6)33(49-30(42)16-22(7)8)34(46-26)38-17-25(36-37-38)23-9-11-24(12-10-23)50(35,43)44/h9-12,17,19-22,26,31-34H,13-16,18H2,1-8H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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 14 by stopped-flow CO2 hydration assay				J Med Chem 56: 9623-34 (2013) Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS
					More data for this Ligand-Target Pair