BDBM50137266 CHEMBL140577::N-[4-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclohexyl]-4-(2,2,2-trifluoro-ethanesulfonylamino)-benzenesulfonamide::N-[4-(1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclohexyl]-4-(2,2,2-trifluoro-ethanesulfonylamino)-benzenesulfonamide

SMILES: N[C@@H](C1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C(=O)N1CCCC1

InChI Key: InChIKey=ADSYCQHXJJBMGD-CMTKHDEESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50137266   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50137266 (CHEMBL140577 | N-[4-((S)-1-Amino-2-oxo-2-pyrrolidi...) Show SMILES N[C@@H](C1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C(=O)N1CCCC1 |wU:5.8,wD:1.0,(10.78,8.99,;12.11,8.21,;12.11,6.69,;10.79,5.9,;10.79,4.36,;12.11,3.59,;13.44,4.36,;13.44,5.9,;12.11,2.05,;13.45,1.28,;13.45,-.26,;14.78,2.05,;14.78,.51,;14.76,-1.01,;16.09,-1.78,;17.42,-1.03,;18.76,-1.8,;20.09,-1.03,;20.09,.51,;21.43,-1.8,;21.42,-.24,;22.76,-1,;23.98,-1.69,;23.03,-2.59,;24.26,-.4,;17.42,.53,;16.09,1.28,;13.45,8.99,;13.45,10.53,;14.78,8.22,;16.18,8.83,;17.22,7.7,;16.45,6.36,;14.94,6.69,)| Show InChI InChI=1S/C20H29F3N4O5S2/c21-20(22,23)13-33(29,30)25-15-7-9-17(10-8-15)34(31,32)26-16-5-3-14(4-6-16)18(24)19(28)27-11-1-2-12-27/h7-10,14,16,18,25-26H,1-6,11-13,24H2/t14?,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against dipeptidyl-peptidase IV				J Med Chem 47: 4135-41 (2004) Article DOI: 10.1021/jm030628v BindingDB Entry DOI: 10.7270/Q2902380
					More data for this Ligand-Target Pair