Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50528171'   

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))	BDBM50528171 (CHEMBL4516808) Show SMILES CCN(CC)P(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C16H21N2O4PS/c1-3-18(4-2)23(19,15-8-6-5-7-9-15)22-14-10-12-16(13-11-14)24(17,20)21/h5-13H,3-4H2,1-2H3,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...				J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 BindingDB Entry DOI: 10.7270/Q2W380S2
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