Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50185302'   

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))	BDBM50185302 (CHEMBL3823618) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(O)=O)cc2)s1 Show InChI InChI=1S/C12H13N5O7S3/c13-26(21,22)12-16-15-11(25-12)17-27(23,24)8-3-1-7(2-4-8)14-9(18)5-6-10(19)20/h1-4H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80
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