Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288871'   

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))	BDBM50288871 (3-Methyl-2-{2-[2-(4-sulfamoyl-benzoylamino)-acetyl...) Show SMILES CC(C)(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N4O7S/c1-17(2,3)14(16(25)26)21-13(23)9-19-12(22)8-20-15(24)10-4-6-11(7-5-10)29(18,27)28/h4-7,14H,8-9H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t14-/m1/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	240	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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