Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50525466'   

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))	BDBM50525466 (CHEMBL4440045) Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(cc2)[N+]([O-])=O)cc1 |t:10| Show InChI InChI=1S/C16H12N4O6S2/c17-28(24,25)26-13-7-3-11(4-8-13)18-16-19-15(21)14(27-16)9-10-1-5-12(6-2-10)20(22)23/h1-9H,(H2,17,24,25)(H,18,19,21)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052 BindingDB Entry DOI: 10.7270/Q2B27ZQ2
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