Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50339451'   

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))	BDBM50339451 (1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...) Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r| Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1419-26 (2013) Article DOI: 10.1016/j.bmc.2012.10.043 BindingDB Entry DOI: 10.7270/Q2FT8ND6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50339451 (1,2,3,4-Tetra-O-butyryl-6-sulfamoyl-beta-D-glucopy...) Show SMILES CCCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC |r| Show InChI InChI=1S/C22H37NO12S/c1-5-9-15(24)32-19-14(13-30-36(23,28)29)31-22(35-18(27)12-8-4)21(34-17(26)11-7-3)20(19)33-16(25)10-6-2/h14,19-22H,5-13H2,1-4H3,(H2,23,28,29)/t14-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	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 2 by CO2 hydration assay				J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX
					More data for this Ligand-Target Pair