Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50525477'   

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))	BDBM50525477 (CHEMBL4554643) Show SMILES COc1cc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc(OC)c1OC |c:21| Show InChI InChI=1S/C19H19N3O7S2/c1-26-14-8-11(9-15(27-2)17(14)28-3)10-16-18(23)22-19(30-16)21-12-4-6-13(7-5-12)29-31(20,24)25/h4-10H,1-3H3,(H2,20,24,25)(H,21,22,23)/b16-10+	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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