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BDBM50251414 (2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-3-aza-bicyclo[3.1.0]hexan-6-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL471956

SMILES: F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1

InChI Key: InChIKey=UGAJFBJKPIYEMY-CKENWRIRSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50251414   
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))
BDBM50251414
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)
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)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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Article
PubMed
n/an/a 49n/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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50251414
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)
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)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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n/an/a 9.04E+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 VIII


(Homo sapiens (Human))
BDBM50251414
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)
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)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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n/an/a 2.38E+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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50251414
PNG
((2S,4S)-1-(2-((1S,5R,6s)-3-(5-chloropyridin-2-yl)-...)
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)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C17H19ClFN5O/c18-10-1-2-15(21-5-10)23-8-13-14(9-23)17(13)22-6-16(25)24-7-11(19)3-12(24)4-20/h1-2,5,11-14,17,22H,3,6-9H2/t11-,12-,13-,14+,17+/m0/s1
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Article
PubMed
n/an/a 8.75E+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