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BDBM50265160 1-(2-amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile::CHEMBL507254::US9115082, 8

SMILES: NC(C1CCCCC1)C(=O)N1CCCC1C#N

InChI Key: InChIKey=SXNUNNAPZNTPQV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265160   
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 (DPP4)


(Homo sapiens (human))
BDBM50265160
PNG
(1-(2-amino-2-cyclohexylacetyl)pyrrolidine-2-carbon...)
Show SMILES NC(C1CCCCC1)C(=O)N1CCCC1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50265160
PNG
(1-(2-amino-2-cyclohexylacetyl)pyrrolidine-2-carbon...)
Show SMILES NC(C1CCCCC1)C(=O)N1CCCC1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 46n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair