Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50528169'   

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 5B, mitochondrial (Homo sapiens (Human))	BDBM50528169 (CHEMBL4579472) Show SMILES NS(=O)(=O)c1ccc(OP(=O)(Oc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C18H17N2O7PS2/c19-29(22,23)17-10-6-14(7-11-17)26-28(21,16-4-2-1-3-5-16)27-15-8-12-18(13-9-15)30(20,24)25/h1-13H,(H2,19,22,23)(H2,20,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 BindingDB Entry DOI: 10.7270/Q2W380S2
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