Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288874'   

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))	BDBM50288874 (3-(4-Fluoro-phenyl)-2-[2-(4-sulfamoyl-benzoylamino...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C18H18FN3O6S/c19-13-5-1-11(2-6-13)9-15(18(25)26)22-16(23)10-21-17(24)12-3-7-14(8-4-12)29(20,27)28/h1-8,15H,9-10H2,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)	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	130	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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