BDBM50242594 CHEMBL519585::N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-1H-benzimidazole-5-carboxamide

SMILES: CC(C)(CNC(=O)c1ccc2nc[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=QPKRORKNBAZSFV-KBPBESRZSA-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 = 50242594   

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))	BDBM50242594 (CHEMBL519585 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...) Show SMILES CC(C)(CNC(=O)c1ccc2nc[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C19H23FN6O2/c1-19(2,25-8-17(27)26-9-13(20)6-14(26)7-21)10-22-18(28)12-3-4-15-16(5-12)24-11-23-15/h3-5,11,13-14,25H,6,8-10H2,1-2H3,(H,22,28)(H,23,24)/t13-,14-/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	5.70	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
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