Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50092604'   

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))	BDBM50092604 (CHEMBL3586218) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1C Show InChI InChI=1S/C20H26N2O3S/c1-4-14-22(15-5-2)26(24,25)18-12-10-17(11-13-18)20(23)21-19-9-7-6-8-16(19)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
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