Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50278846'   

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 9 (Homo sapiens (Human))	BDBM50278846 (4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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 CA9 by CO2 hydration based stopped flow assay				J Med Chem 54: 6905-18 (2011) Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50278846 (4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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 CA9 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50278846 (4-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O9S2/c16-30(26,27)10-3-1-9(2-4-10)19-5-8(17-18-19)7-29(24,25)15-14(23)13(22)12(21)11(6-20)28-15/h1-5,11-15,20-23H,6-7H2,(H2,16,26,27)/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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 CA9 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