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BDBM50256569 (R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1,4-diazepane-1-carbonyl)benzoic acid hydrochloride::CHEMBL482154

SMILES: N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=NXUBRAZWHJADLI-QGZVFWFLSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50256569   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50256569
PNG
((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...)
Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1
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Article
PubMed
n/an/a 223n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 6525-9 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)