Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50528165'   

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))	BDBM50528165 (CHEMBL4543084) Show SMILES NP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C12H13N2O4PS/c13-19(15,11-4-2-1-3-5-11)18-10-6-8-12(9-7-10)20(14,16)17/h1-9H,(H2,13,15)(H2,14,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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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