Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288890'   

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))	BDBM50288890 (3-Methyl-2-[2-(4-sulfamoyl-benzoylamino)-acetylami...) Show SMILES CCC(C)C(NC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C15H21N3O6S/c1-3-9(2)13(15(21)22)18-12(19)8-17-14(20)10-4-6-11(7-5-10)25(16,23)24/h4-7,9,13H,3,8H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)(H2,16,23,24)	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	160	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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