Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50525483'   

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))	BDBM50525483 (CHEMBL4546356) Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(cc2)C(F)(F)F)cc1 |t:10| Show InChI InChI=1S/C17H12F3N3O4S2/c18-17(19,20)11-3-1-10(2-4-11)9-14-15(24)23-16(28-14)22-12-5-7-13(8-6-12)27-29(21,25)26/h1-9H,(H2,21,25,26)(H,22,23,24)/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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