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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50187266'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in Sprague-Dawley rat plasma


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in cynomolgus monkey plasma


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in beagle dog plasma


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in beagle dog plasma


J Med Chem 49: 3068-76 (2006)


Article DOI: 10.1021/jm0600085
BindingDB Entry DOI: 10.7270/Q2BG2NM7
More data for this
Ligand-Target Pair