Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50515835'   

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))	BDBM50515835 (CHEMBL4454540) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
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