Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM16654'   

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))	BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.73E+3	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))	BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.73E+3	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)