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BDBM50251818 (2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluorophenyl)-3-aza-bicyclo[3.1.0]hexan-6-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL520921

SMILES: F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N

InChI Key: InChIKey=OOUJXBPKJBAPMD-NEYKFGMSSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50251818   
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))
BDBM50251818
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-2-16(22)13(5-24)17(3-10)26-8-14-15(9-26)19(14)25-6-18(28)27-7-11(21)1-12(27)4-23/h2-3,11-12,14-15,19,25H,1,6-9H2/t11-,12-,14-,15+,19+/m0/s1
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Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50251818
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-2-16(22)13(5-24)17(3-10)26-8-14-15(9-26)19(14)25-6-18(28)27-7-11(21)1-12(27)4-23/h2-3,11-12,14-15,19,25H,1,6-9H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50251818
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-2-16(22)13(5-24)17(3-10)26-8-14-15(9-26)19(14)25-6-18(28)27-7-11(21)1-12(27)4-23/h2-3,11-12,14-15,19,25H,1,6-9H2/t11-,12-,14-,15+,19+/m0/s1
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PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PPCE (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50251818
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-2-16(22)13(5-24)17(3-10)26-8-14-15(9-26)19(14)25-6-18(28)27-7-11(21)1-12(27)4-23/h2-3,11-12,14-15,19,25H,1,6-9H2/t11-,12-,14-,15+,19+/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50251818
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3,5-difluoroph...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
Show InChI InChI=1S/C19H18F3N5O/c20-10-2-16(22)13(5-24)17(3-10)26-8-14-15(9-26)19(14)25-6-18(28)27-7-11(21)1-12(27)4-23/h2-3,11-12,14-15,19,25H,1,6-9H2/t11-,12-,14-,15+,19+/m0/s1
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4087-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.101
BindingDB Entry DOI: 10.7270/Q2T153FC
More data for this
Ligand-Target Pair