Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288885'   

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))	BDBM50288885 (2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...) Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r| Show InChI InChI=1S/C16H21N5O8S/c1-9(16(26)27)21-14(24)8-19-12(22)6-18-13(23)7-20-15(25)10-2-4-11(5-3-10)30(17,28)29/h2-5,9H,6-8H2,1H3,(H,18,23)(H,19,22)(H,20,25)(H,21,24)(H,26,27)(H2,17,28,29)/t9-/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	300	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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