Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50334345'   

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))	BDBM50334345 (4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50334345 (4-(3-(4-cyanophenyl)ureido)benzenesulfonamide | 4-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C14H12N4O3S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	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 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair				3D Structure (docked)