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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50170928   
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))
BDBM50170928
PNG
(CHEMBL3806239)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13+,19-/m0/s1
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Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1


(Rattus norvegicus)
BDBM50170928
PNG
(CHEMBL3806239)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13+,19-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50170928
PNG
(CHEMBL3806239)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13+,19-/m0/s1
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 26: 2622-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.020
BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair