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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50212928   
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


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
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n/an/a 4.56E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
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Article
PubMed
n/an/a 7.23E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair