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BDBM50187258 (2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-ylamino)-acetyl]-pyrrolidine-2,5-dicarbonitrile::CHEMBL383488

SMILES: O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N

InChI Key: InChIKey=AUTFAIZVENWKKX-PIYFJZFMSA-N

Data: 7 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 7 hits for monomerid = 50187258   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FAP


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP2


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Xaa-Pro aminopeptidase 1


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of APP


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:7:6:8.9:11,THB:9:8:5:10.11.12,9:10:5:7.8,7:8:11:6.5.12|
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair