Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50226805'   

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))	BDBM50226805 (CHEMBL4095964) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)OCCCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C23H31Cl2N3O4S/c24-13-16-28(17-14-25)21-8-4-19(5-9-21)3-1-2-18-32-23(29)27-15-12-20-6-10-22(11-7-20)33(26,30)31/h4-11H,1-3,12-18H2,(H,27,29)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) Article DOI: 10.1016/j.ejmech.2016.10.037 BindingDB Entry DOI: 10.7270/Q2MK6G3G
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