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BDBM50437396 CHEMBL2408651

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12

InChI Key: InChIKey=RLWGBVWGAYUQRU-SFHVURJKSA-N

Data: 3 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50437396   
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 IV


(Sus scrofa (pig))
BDBM50437396
PNG
(CHEMBL2408651)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3/t18-/m0/s1
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Article
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n/an/a 17n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437396
PNG
(CHEMBL2408651)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3/t18-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50437396
PNG
(CHEMBL2408651)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair