Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288898'   

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))	BDBM50288898 (3-(4-Fluoro-phenyl)-2-(2-{2-[2-(4-sulfamoyl-benzoy...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C20H21FN4O7S/c21-14-5-1-12(2-6-14)9-16(20(29)30)25-18(27)11-23-17(26)10-24-19(28)13-3-7-15(8-4-13)33(22,31)32/h1-8,16H,9-11H2,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant against human carbonic anhydrase II at 37 degree centigrade				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
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