BDBM50242475 CHEMBL470893::N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-N-isobutylbenzamide

SMILES: CC(C)CN(CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1ccccc1

InChI Key: InChIKey=YMKJPULNBRODDG-OALUTQOASA-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 = 50242475   

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))	BDBM50242475 (CHEMBL470893 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...) Show SMILES CC(C)CN(CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H31FN4O2/c1-16(2)13-26(21(29)17-8-6-5-7-9-17)15-22(3,4)25-12-20(28)27-14-18(23)10-19(27)11-24/h5-9,16,18-19,25H,10,12-15H2,1-4H3/t18-,19-/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	7.30	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