BDBM50242597 CHEMBL487862::N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-1-methylcyclohexanecarboxamide

SMILES: CC(C)(CNC(=O)C1(C)CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=PUHZEJJYYSFZNV-GJZGRUSLSA-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 = 50242597   

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))	BDBM50242597 (CHEMBL487862 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...) Show SMILES CC(C)(CNC(=O)C1(C)CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C19H31FN4O2/c1-18(2,13-22-17(26)19(3)7-5-4-6-8-19)23-11-16(25)24-12-14(20)9-15(24)10-21/h14-15,23H,4-9,11-13H2,1-3H3,(H,22,26)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma by fluorescence assay				Bioorg Med Chem 16: 4093-106 (2008) Article DOI: 10.1016/j.bmc.2008.01.016 BindingDB Entry DOI: 10.7270/Q27H1KGN
					More data for this Ligand-Target Pair