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SMILES: N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N

InChI Key: InChIKey=ILQNYZWFPNGSDX-CQSZACIVSA-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 5 hits for monomerid = 50381853   
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))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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PC sid
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n/an/a 44n/an/an/an/an/an/a



Chinese Academy of Science

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins


Bioorg Med Chem 21: 1749-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.062
BindingDB Entry DOI: 10.7270/Q2R78GMR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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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))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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n/an/a 1.40n/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))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
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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))
BDBM50381853
PNG
(CHEMBL2023067)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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