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BDBM50364166 CHEMBL1951422

SMILES: COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O

InChI Key: InChIKey=ZHBHUYVIDPMXDX-RNZRUAGMNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364166   
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))
BDBM50364166
PNG
(CHEMBL1951422)
Show SMILES COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1/C28H28N6O3/c1-37-22-11-5-9-20(13-22)24(35)17-33-18-31-25-23(14-29)27(32-12-6-10-21(30)16-32)34(26(25)28(33)36)15-19-7-3-2-4-8-19/h2-5,7-9,11,13,18,21H,6,10,12,15-17,30H2,1H3/t21-/s2
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50364166
PNG
(CHEMBL1951422)
Show SMILES COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1/C28H28N6O3/c1-37-22-11-5-9-20(13-22)24(35)17-33-18-31-25-23(14-29)27(32-12-6-10-21(30)16-32)34(26(25)28(33)36)15-19-7-3-2-4-8-19/h2-5,7-9,11,13,18,21H,6,10,12,15-17,30H2,1H3/t21-/s2
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of M1 receptor


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair