Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50524466'   

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))	BDBM50524466 (CHEMBL4581209) Show SMILES COc1cc(cc(OC)c1OC)C1=CC(=O)N([S+]1[O-])C(C)(C)C |t:13| Show InChI InChI=1S/C16H21NO5S/c1-16(2,3)17-14(18)9-13(23(17)19)10-7-11(20-4)15(22-6)12(8-10)21-5/h7-9H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072 BindingDB Entry DOI: 10.7270/Q2Z32327
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