Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM12919'   

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))	BDBM12919 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12-,13+,14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	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 recombinant CA2 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12919 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12-,13+,14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair