Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50428813'   

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 2 (Homo sapiens (Human))	BDBM50428813 (CHEMBL375030) Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair