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SMILES: N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1

InChI Key: InChIKey=UEXHMVRTCMQTTN-LJQANCHMSA-N

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 4 hits for monomerid = 50381855   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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Article
PubMed
n/an/a 2.34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 after 10 mins


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50381855
PNG
(CHEMBL2023066)
Show SMILES N[C@@H]1CCCN(C1)c1nc2[nH]c(cc2c(=O)n1Cc1ccccc1C#N)-c1cccnc1 |r|
Show InChI InChI=1S/C24H23N7O/c25-12-16-5-1-2-6-18(16)14-31-23(32)20-11-21(17-7-3-9-27-13-17)28-22(20)29-24(31)30-10-4-8-19(26)15-30/h1-3,5-7,9,11,13,19,28H,4,8,10,14-15,26H2/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Eur J Med Chem 52: 205-12 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.015
BindingDB Entry DOI: 10.7270/Q2B8594W
More data for this
Ligand-Target Pair