Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM50504937'   

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 14 (Homo sapiens (Human))	BDBM50504937 (CHEMBL4538502) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)[S+]([O-])Cc1ccccc1 Show InChI InChI=1S/C20H23ClN2O4S2/c21-17-12-18(28(25)13-14-7-3-1-4-8-14)16(11-19(17)29(22,26)27)20(24)23-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H,23,24)(H2,22,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
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