Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50352644'   

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 13 (Homo sapiens (Human))	BDBM50352644 (CHEMBL1822700) Show SMILES CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2cccc(c2)S(N)(=O)=O)N(CC)CC)c1 Show InChI InChI=1S/C34H36N4O4S/c1-5-36(6-2)23-16-18-29-31(21-23)42-32-22-24(37(7-3)8-4)17-19-30(32)34(29)28-15-10-9-14-27(28)33(39)38(34)25-12-11-13-26(20-25)43(35,40)41/h9-22H,5-8H2,1-4H3,(H2,35,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 21: 5210-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.045 BindingDB Entry DOI: 10.7270/Q2XP75B3
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