Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50097276'   

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))	BDBM50097276 (CHEMBL286449 | Zinc: {{2-[Carboxymethyl-(2-{carbox...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C28H39N7O12S2/c29-48(44,45)22-5-1-20(2-6-22)13-31-24(36)15-34(18-27(40)41)11-9-33(17-26(38)39)10-12-35(19-28(42)43)16-25(37)32-14-21-3-7-23(8-4-21)49(30,46)47/h1-8H,9-19H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase II				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50097276 (CHEMBL286449 | Zinc: {{2-[Carboxymethyl-(2-{carbox...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C28H39N7O12S2/c29-48(44,45)22-5-1-20(2-6-22)13-31-24(36)15-34(18-27(40)41)11-9-33(17-26(38)39)10-12-35(19-28(42)43)16-25(37)32-14-21-3-7-23(8-4-21)49(30,46)47/h1-8H,9-19H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50097276 (CHEMBL286449 | Zinc: {{2-[Carboxymethyl-(2-{carbox...) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C28H39N7O12S2/c29-48(44,45)22-5-1-20(2-6-22)13-31-24(36)15-34(18-27(40)41)11-9-33(17-26(38)39)10-12-35(19-28(42)43)16-25(37)32-14-21-3-7-23(8-4-21)49(30,46)47/h1-8H,9-19H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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 recombinant CA2 by CO2 hydration stopped flow assay				Bioorg Med Chem Lett 18: 836-41 (2008) Article DOI: 10.1016/j.bmcl.2007.11.025 BindingDB Entry DOI: 10.7270/Q2JH3N16
					More data for this Ligand-Target Pair