Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50349108'   

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))	BDBM50349108 (CHEMBL1807496) Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/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	5	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 carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1419-26 (2013) Article DOI: 10.1016/j.bmc.2012.10.043 BindingDB Entry DOI: 10.7270/Q2FT8ND6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349108 (CHEMBL1807496) Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/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	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins				Bioorg Med Chem Lett 21: 4447-50 (2011) Article DOI: 10.1016/j.bmcl.2011.06.031 BindingDB Entry DOI: 10.7270/Q2M9091G
					More data for this Ligand-Target Pair