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Patent code US9051329

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM60417
PNG
(US9051329, Example 1)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O |r|
Show InChI InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1
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US Patent
n/an/a 1.70n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162377
PNG
(US9051329, Example 2)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c1c2=O |r|
Show InChI InChI=1S/C21H22N8O2/c1-26-16(30)12-29-19(31)17-18(24-20(26)29)25-21(27-8-4-7-15(23)11-27)28(17)10-14-6-3-2-5-13(14)9-22/h2-3,5-6,15H,4,7-8,10-12,23H2,1H3/t15-/m1/s1
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US Patent
n/an/a 10.6n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162383
PNG
(US9051329, Example 8)
Show SMILES CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|
Show InChI InChI=1S/C22H23F4N7O2/c1-2-31-16(34)11-33-19(35)17-18(29-21(31)33)28-20(30-7-3-4-14(27)10-30)32(17)9-12-8-13(23)5-6-15(12)22(24,25)26/h5-6,8,14H,2-4,7,9-11,27H2,1H3/t14-/m1/s1
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US Patent
n/an/a 11.2n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162381
PNG
(US9051329, Example 6)
Show SMILES CCN1C(=O)Cn2c1nc1nc(N3CCC[C@H](C3)NC(=O)OC(C)(C)C)n(Cc3cc(F)ccc3C#N)c1c2=O |r|
Show InChI InChI=1S/C27H31FN8O4/c1-5-34-20(37)15-36-23(38)21-22(32-25(34)36)31-24(35(21)13-17-11-18(28)9-8-16(17)12-29)33-10-6-7-19(14-33)30-26(39)40-27(2,3)4/h8-9,11,19H,5-7,10,13-15H2,1-4H3,(H,30,39)/t19-/m1/s1
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US Patent
n/an/a 13.5n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162376
PNG
(US9051329, Example 1 | US9051329, Example 4)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|
Show InChI InChI=1S/C21H21F4N7O2/c1-29-15(33)10-32-18(34)16-17(27-19(29)32)28-20(30-6-2-3-13(26)9-30)31(16)8-11-7-12(22)4-5-14(11)21(23,24)25/h4-5,7,13H,2-3,6,8-10,26H2,1H3/t13-/m1/s1
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US Patent
n/an/a 27.4n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162380
PNG
(US9051329, Example 5)
Show SMILES CC#CCn1c(nc2nc3N(C)C(=O)Cn3c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C17H21N7O2/c1-3-4-8-23-13-14(20-17(23)22-7-5-6-11(18)9-22)19-16-21(2)12(25)10-24(16)15(13)26/h11H,5-10,18H2,1-2H3/t11-/m1/s1
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US Patent
n/an/a 123n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162378
PNG
(US9051329, Example 3)
Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|
Show InChI InChI=1S/C20H21F2N7O2/c1-26-15(30)10-29-18(31)16-17(24-19(26)29)25-20(27-6-2-3-13(23)9-27)28(16)8-11-7-12(21)4-5-14(11)22/h4-5,7,13H,2-3,6,8-10,23H2,1H3/t13-/m1/s1
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US Patent
n/an/a 156n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM162382
PNG
(US9051329, Example 7)
Show SMILES CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|
Show InChI InChI=1S/C21H23F2N7O2/c1-2-28-16(31)11-30-19(32)17-18(26-21(28)30)25-20(27-7-3-4-14(24)10-27)29(17)9-12-8-13(22)5-6-15(12)23/h5-6,8,14H,2-4,7,9-11,24H2,1H3/t14-/m1/s1
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US Patent
n/an/a 625n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...


US Patent US9051329 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%