Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM15232'   

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))	BDBM15232 (4-(4-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyr...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C21H30N4O13S/c22-39(33,34)11-3-1-10(2-4-11)25-5-9(23-24-25)8-35-20-18(32)16(30)19(13(7-27)37-20)38-21-17(31)15(29)14(28)12(6-26)36-21/h1-5,12-21,26-32H,6-8H2,(H2,22,33,34)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	84	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 50: 1651-7 (2007) Article DOI: 10.1021/jm061320h BindingDB Entry DOI: 10.7270/Q2668BFJ
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