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BDBM50350175 CHEMBL1814749

SMILES: C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1

InChI Key: InChIKey=VAHNMPYIDDIFGT-HRFSGMKKSA-N

Data: 1 KI  3 IC50

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 = 50350175   
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 VIII


(Homo sapiens (Human))
BDBM50350175
PNG
(CHEMBL1814749)
Show SMILES C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c1-20-17-34(28(37)16-27(33)30(38)35-18-23-4-2-3-5-24(23)19-35)14-15-36(20)29(21-6-10-25(31)11-7-21)22-8-12-26(32)13-9-22/h2-13,20,27,29H,14-19,33H2,1H3/t20-,27+/m1/s1
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Article
PubMed
37n/an/an/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min ...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50350175
PNG
(CHEMBL1814749)
Show SMILES C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c1-20-17-34(28(37)16-27(33)30(38)35-18-23-4-2-3-5-24(23)19-35)14-15-36(20)29(21-6-10-25(31)11-7-21)22-8-12-26(32)13-9-22/h2-13,20,27,29H,14-19,33H2,1H3/t20-,27+/m1/s1
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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50350175
PNG
(CHEMBL1814749)
Show SMILES C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c1-20-17-34(28(37)16-27(33)30(38)35-18-23-4-2-3-5-24(23)19-35)14-15-36(20)29(21-6-10-25(31)11-7-21)22-8-12-26(32)13-9-22/h2-13,20,27,29H,14-19,33H2,1H3/t20-,27+/m1/s1
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to sub...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50350175
PNG
(CHEMBL1814749)
Show SMILES C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C30H32F2N4O2/c1-20-17-34(28(37)16-27(33)30(38)35-18-23-4-2-3-5-24(23)19-35)14-15-36(20)29(21-6-10-25(31)11-7-21)22-8-12-26(32)13-9-22/h2-13,20,27,29H,14-19,33H2,1H3/t20-,27+/m1/s1
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair