Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50141801'   

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))	BDBM50141801 (2-Methyl-4,6-diphenyl-1-[2-(4-sulfamoyl-phenyl)-et...) Show SMILES Cc1cc(cc(-c2ccccc2)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C26H25N2O2S/c1-20-18-24(22-8-4-2-5-9-22)19-26(23-10-6-3-7-11-23)28(20)17-16-21-12-14-25(15-13-21)31(27,29)30/h2-15,18-19H,16-17H2,1H3,(H2,27,29,30)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase IX				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
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