BindingDB logo
myBDB logout

BDBM50320285 (3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-N,N-dimethylhexahydrocyclopenta[c]pyrrole-2(1H)-carboxamide::CHEMBL1085269

SMILES: CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=BRAWVUJRLDASDM-XGUBFFRZSA-N

Data: 3 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 3 hits for monomerid = 50320285   
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))
BDBM50320285
PNG
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)
Show SMILES CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N5O2/c1-20(2)17(24)21-10-12-6-14(7-13(12)11-21)19-9-16(23)22-5-3-4-15(22)8-18/h12-15,19H,3-7,9-11H2,1-2H3/t12-,13+,14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320285
PNG
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)
Show SMILES CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N5O2/c1-20(2)17(24)21-10-12-6-14(7-13(12)11-21)19-9-16(23)22-5-3-4-15(22)8-18/h12-15,19H,3-7,9-11H2,1-2H3/t12-,13+,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 20: 3565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50320285
PNG
((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)
Show SMILES CN(C)C(=O)N1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N5O2/c1-20(2)17(24)21-10-12-6-14(7-13(12)11-21)19-9-16(23)22-5-3-4-15(22)8-18/h12-15,19H,3-7,9-11H2,1-2H3/t12-,13+,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.74E+4n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 20: 3565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.120
BindingDB Entry DOI: 10.7270/Q2P55NQQ
More data for this
Ligand-Target Pair