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BDBM50244011 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide::4'-[(R)-1-Amino-2-(2,5-difluoro-phenyl)-ethyl]-biphenyl-3-carboxylic acid amide::CHEMBL452289

SMILES: N[C@H](Cc1cc(F)ccc1F)c1ccc(cc1)-c1cccc(c1)C(N)=O

InChI Key: InChIKey=JYKFWUXBFJJDTP-HXUWFJFHSA-N

Data: 3 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 3 hits for monomerid = 50244011   
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


(Homo sapiens (Human))
BDBM50244011
PNG
(4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 3706-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.061
BindingDB Entry DOI: 10.7270/Q24T6J6Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50244011
PNG
(4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of dipeptidyl peptidase 4 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0455-6
BindingDB Entry DOI: 10.7270/Q2HH6NZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50244011
PNG
(4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 3706-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.061
BindingDB Entry DOI: 10.7270/Q24T6J6Q
More data for this
Ligand-Target Pair