Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50226749'   

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 2 (Homo sapiens (Human))	BDBM50226749 (CHEMBL4083817) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C20H25Cl2N3O3S/c21-12-14-25(15-13-22)18-8-4-16(5-9-18)2-1-3-20(26)24-17-6-10-19(11-7-17)29(23,27)28/h4-11H,1-3,12-15H2,(H,24,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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 2 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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