Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50141796'   

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))	BDBM50141796 (2,6-Diethyl-4-phenyl-1-(4-sulfamoyl-benzyl)-pyridi...) Show SMILES CCc1cc(cc(CC)[n+]1Cc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H25N2O2S/c1-3-20-14-19(18-8-6-5-7-9-18)15-21(4-2)24(20)16-17-10-12-22(13-11-17)27(23,25)26/h5-15H,3-4,16H2,1-2H3,(H2,23,25,26)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
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