BDBM50129868 1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cyclohexylamino]-acetyl}-pyrrolidine-2-carbonitrile::CHEMBL94598

SMILES: FC(F)(F)c1ccc(N[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)nc1

InChI Key: InChIKey=NTXLNAGKWGQECP-YVZMLIKISA-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 = 50129868   

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))	BDBM50129868 (1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cycl...) Show SMILES FC(F)(F)c1ccc(N[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)nc1 |wD:23.25,9.8,(-6.88,-9.92,;-6.86,-8.52,;-8.11,-9.52,;-5.62,-9.54,;-6.85,-6.98,;-8.18,-6.2,;-8.18,-4.66,;-6.83,-3.92,;-6.82,-2.38,;-5.48,-1.61,;-4.16,-2.38,;-2.84,-1.61,;-2.84,-.08,;-4.16,.69,;-5.48,-.08,;-1.71,.95,;-.25,.48,;.91,1.53,;.58,3.02,;2.37,1.05,;2.85,-.43,;4.4,-.43,;4.87,1.05,;3.61,1.95,;4.38,3.3,;5.13,4.63,;-5.51,-4.68,;-5.51,-6.21,)| Show InChI InChI=1S/C19H24F3N5O/c20-19(21,22)13-3-8-17(25-11-13)26-15-6-4-14(5-7-15)24-12-18(28)27-9-1-2-16(27)10-23/h3,8,11,14-16,24H,1-2,4-7,9,12H2,(H,25,26)/t14?,15-,16-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair