Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50230200'   

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))	BDBM50230200 (CHEMBL4079848) Show SMILES CC(C(=O)NCCOc1ccc2ccc(=O)oc2c1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H23NO5/c1-18(21-8-5-9-22(16-21)26(30)20-6-3-2-4-7-20)27(31)28-14-15-32-23-12-10-19-11-13-25(29)33-24(19)17-23/h2-13,16-18H,14-15H2,1H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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 recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
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