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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'uchiyama' and Initial = 'k'   
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))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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3n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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95n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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810n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391433
PNG
(CHEMBL2147070)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H23ClFN5O3/c1-29-19-10-13(23(33)34)4-6-17(19)20-21(22(29)32)31(11-14-9-15(26)5-7-18(14)25)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391470
PNG
(CHEMBL2147056)
Show SMILES Cc1ccc(F)cc1Cn1c(nc2c1c(=O)n(C)c1cc(ccc21)C(O)=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H26FN5O3/c1-14-5-7-17(26)10-16(14)12-31-22-21(28-25(31)30-9-3-4-18(27)13-30)19-8-6-15(24(33)34)11-20(19)29(2)23(22)32/h5-8,10-11,18H,3-4,9,12-13,27H2,1-2H3,(H,33,34)/t18-/m1/s1
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n/an/a 0.550n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50063932
PNG
(CHEMBL3400965)
Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-20-22(12-17)33(2)26(36)25-24(20)32-28(34-11-5-7-19(31)14-34)35(25)13-18-6-3-4-8-21(18)30/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 23: 779-90 (2015)


Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391443
PNG
(CHEMBL2147073)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24ClN5O3/c1-28-19-11-14(23(32)33)8-9-17(19)20-21(22(28)31)30(12-15-5-2-3-7-18(15)25)24(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50063933
PNG
(CHEMBL3400966)
Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-7-20-22(11-16)34(2)26(37)25-24(20)33-28(35-9-3-4-19(32)13-35)36(25)12-17-10-18(31)6-8-21(17)30/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 23: 779-90 (2015)


Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391460
PNG
(CHEMBL2147083)
Show SMILES Cn1c2ccc(CC(O)=O)cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-9-8-15(12-21(32)33)11-18(20)22-23(24(29)34)31(13-16-5-2-3-7-19(16)26)25(28-22)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,12-14,27H2,1H3,(H,32,33)/t17-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391449
PNG
(CHEMBL2147074)
Show SMILES Cn1c2cc(CC(O)=O)ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-11-15(12-21(32)33)8-9-18(20)22-23(24(29)34)31(13-16-5-2-3-7-19(16)26)25(28-22)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,12-14,27H2,1H3,(H,32,33)/t17-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50063931
PNG
(CHEMBL3400964)
Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4cc(F)ccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-8-22-20(11-16)24-25(26(37)34(22)2)36(12-17-10-18(31)6-7-21(17)30)28(33-24)35-9-3-4-19(32)13-35/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 23: 779-90 (2015)


Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391478
PNG
(CHEMBL2147069)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H23ClFN5O3/c1-29-19-7-4-13(23(33)34)10-17(19)20-21(22(29)32)31(11-14-9-15(26)5-6-18(14)25)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391453
PNG
(CHEMBL2147082)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24ClN5O3/c1-28-19-9-8-14(23(32)33)11-17(19)20-21(22(28)31)30(12-15-5-2-3-7-18(15)25)24(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50063930
PNG
(CHEMBL3400963)
Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-22-20(12-17)24-25(26(36)33(22)2)35(13-18-6-3-4-8-21(18)30)28(32-24)34-11-5-7-19(31)14-34/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 23: 779-90 (2015)


Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391442
PNG
(CHEMBL2147072)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C#N |r|
Show InChI InChI=1S/C24H23ClN6O/c1-29-20-11-15(12-26)8-9-18(20)21-22(23(29)32)31(13-16-5-2-3-7-19(16)25)24(28-21)30-10-4-6-17(27)14-30/h2-3,5,7-9,11,17H,4,6,10,13-14,27H2,1H3/t17-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391480
PNG
(CHEMBL2147071)
Show SMILES CN(C)C(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-30(2)24(34)16-10-11-19-21(13-16)31(3)25(35)23-22(19)29-26(32-12-6-8-18(28)15-32)33(23)14-17-7-4-5-9-20(17)27/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391463
PNG
(CHEMBL2147058)
Show SMILES Cc1ccccc1Cn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H27N5O3/c1-15-6-3-4-7-17(15)13-30-22-21(27-25(30)29-11-5-8-18(26)14-29)19-12-16(24(32)33)9-10-20(19)28(2)23(22)31/h3-4,6-7,9-10,12,18H,5,8,11,13-14,26H2,1-2H3,(H,32,33)/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391479
PNG
(CHEMBL2147196)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(N)=O |r|
Show InChI InChI=1S/C24H25ClN6O2/c1-29-19-11-14(22(27)32)8-9-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32)/t16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391471
PNG
(CHEMBL2147081)
Show SMILES CN(C)C(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-30(2)24(34)16-10-11-21-19(13-16)22-23(25(35)31(21)3)33(14-17-7-4-5-9-20(17)27)26(29-22)32-12-6-8-18(28)15-32/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3/t18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391476
PNG
(CHEMBL2147080)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(N)=O |r|
Show InChI InChI=1S/C24H25ClN6O2/c1-29-19-9-8-14(22(27)32)11-17(19)20-21(23(29)33)31(12-15-5-2-3-7-18(15)25)24(28-20)30-10-4-6-16(26)13-30/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H2,27,32)/t16-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391473
PNG
(CHEMBL2147195)
Show SMILES COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-12-15(24(33)34-2)9-10-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391445
PNG
(CHEMBL2147194)
Show SMILES COCc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C25H28ClN5O2/c1-29-21-12-16(15-33-2)9-10-19(21)22-23(24(29)32)31(13-17-6-3-4-8-20(17)26)25(28-22)30-11-5-7-18(27)14-30/h3-4,6,8-10,12,18H,5,7,11,13-15,27H2,1-2H3/t18-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391436
PNG
(CHEMBL2147085)
Show SMILES Cn1c2cccc(CC(O)=O)c2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-29-19-10-4-7-15(12-20(32)33)21(19)22-23(24(29)34)31(13-16-6-2-3-9-18(16)26)25(28-22)30-11-5-8-17(27)14-30/h2-4,6-7,9-10,17H,5,8,11-14,27H2,1H3,(H,32,33)/t17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391475
PNG
(CHEMBL2147079)
Show SMILES COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-29-20-10-9-15(24(33)34-2)12-18(20)21-22(23(29)32)31(13-16-6-3-4-8-19(16)26)25(28-21)30-11-5-7-17(27)14-30/h3-4,6,8-10,12,17H,5,7,11,13-14,27H2,1-2H3/t17-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391472
PNG
(CHEMBL2147183)
Show SMILES Cn1c2cc(CO)ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C24H26ClN5O2/c1-28-20-11-15(14-31)8-9-18(20)21-22(23(28)32)30(12-16-5-2-3-7-19(16)25)24(27-21)29-10-4-6-17(26)13-29/h2-3,5,7-9,11,17,31H,4,6,10,12-14,26H2,1H3/t17-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391455
PNG
(CHEMBL2147068)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(Cl)ccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H23Cl2N5O3/c1-29-19-7-4-13(23(33)34)10-17(19)20-21(22(29)32)31(11-14-9-15(25)5-6-18(14)26)24(28-20)30-8-2-3-16(27)12-30/h4-7,9-10,16H,2-3,8,11-12,27H2,1H3,(H,33,34)/t16-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391464
PNG
(CHEMBL2147059)
Show SMILES COc1ccccc1Cn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C25H27N5O4/c1-28-19-10-9-15(24(32)33)12-18(19)21-22(23(28)31)30(13-16-6-3-4-8-20(16)34-2)25(27-21)29-11-5-7-17(26)14-29/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3,(H,32,33)/t17-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391441
PNG
(CHEMBL2147066)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2c1c(=O)n(-[#6])c1ccc(cc21)-[#6](-[#8])=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C22H27N5O3/c1-13(2)8-10-27-19-18(24-22(27)26-9-4-5-15(23)12-26)16-11-14(21(29)30)6-7-17(16)25(3)20(19)28/h6-8,11,15H,4-5,9-10,12,23H2,1-3H3,(H,29,30)/t15-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391461
PNG
(CHEMBL2147084)
Show SMILES Cn1c2cccc(C(O)=O)c2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C24H24ClN5O3/c1-28-18-10-4-8-16(23(32)33)19(18)20-21(22(28)31)30(12-14-6-2-3-9-17(14)25)24(27-20)29-11-5-7-15(26)13-29/h2-4,6,8-10,15H,5,7,11-13,26H2,1H3,(H,32,33)/t15-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391448
PNG
(CHEMBL2147077)
Show SMILES Cn1c2ccc(F)cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C23H23ClFN5O/c1-28-19-9-8-15(25)11-17(19)20-21(22(28)31)30(12-14-5-2-3-7-18(14)24)23(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3/t16-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391457
PNG
(CHEMBL2147078)
Show SMILES Cn1c2ccc(OC(F)F)cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C24H24ClF2N5O2/c1-30-19-9-8-16(34-23(26)27)11-17(19)20-21(22(30)33)32(12-14-5-2-3-7-18(14)25)24(29-20)31-10-4-6-15(28)13-31/h2-3,5,7-9,11,15,23H,4,6,10,12-13,28H2,1H3/t15-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391437
PNG
(CHEMBL2147086)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H25N5O3/c1-27-19-10-9-16(23(31)32)12-18(19)20-21(22(27)30)29(13-15-6-3-2-4-7-15)24(26-20)28-11-5-8-17(25)14-28/h2-4,6-7,9-10,12,17H,5,8,11,13-14,25H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391477
PNG
(CHEMBL2147190)
Show SMILES Cn1c2cc(F)ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C23H23ClFN5O/c1-28-19-11-15(25)8-9-17(19)20-21(22(28)31)30(12-14-5-2-3-7-18(14)24)23(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3/t16-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391440
PNG
(CHEMBL2147193)
Show SMILES COc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r|
Show InChI InChI=1S/C24H26ClN5O2/c1-28-20-12-17(32-2)9-10-18(20)21-22(23(28)31)30(13-15-6-3-4-8-19(15)25)24(27-21)29-11-5-7-16(26)14-29/h3-4,6,8-10,12,16H,5,7,11,13-14,26H2,1-2H3/t16-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391446
PNG
(CHEMBL2147191)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C29H28ClN5O/c1-33-25-16-20(19-8-3-2-4-9-19)13-14-23(25)26-27(28(33)36)35(17-21-10-5-6-12-24(21)30)29(32-26)34-15-7-11-22(31)18-34/h2-6,8-10,12-14,16,22H,7,11,15,17-18,31H2,1H3/t22-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391469
PNG
(CHEMBL2147189)
Show SMILES Cn1c2c(cccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24ClN5O3/c1-28-20-16(8-4-9-17(20)23(32)33)19-21(22(28)31)30(12-14-6-2-3-10-18(14)25)24(27-19)29-11-5-7-15(26)13-29/h2-4,6,8-10,15H,5,7,11-13,26H2,1H3,(H,32,33)/t15-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAPalpha


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391450
PNG
(CHEMBL2147075)
Show SMILES COc1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C24H26ClN5O2/c1-28-20-10-9-17(32-2)12-18(20)21-22(23(28)31)30(13-15-6-3-4-8-19(15)25)24(27-21)29-11-5-7-16(26)14-29/h3-4,6,8-10,12,16H,5,7,11,13-14,26H2,1-2H3/t16-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391456
PNG
(CHEMBL2147067)
Show SMILES CC#CCn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H23N5O3/c1-3-4-10-26-18-17(23-21(26)25-9-5-6-14(22)12-25)15-11-13(20(28)29)7-8-16(15)24(2)19(18)27/h7-8,11,14H,5-6,9-10,12,22H2,1-2H3,(H,28,29)/t14-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391447
PNG
(CHEMBL2147076)
Show SMILES Cc1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C24H26ClN5O/c1-15-9-10-20-18(12-15)21-22(23(31)28(20)2)30(13-16-6-3-4-8-19(16)25)24(27-21)29-11-5-7-17(26)14-29/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3/t17-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391468
PNG
(CHEMBL2147087)
Show SMILES Cn1c2ccccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O |r|
Show InChI InChI=1S/C23H24ClN5O/c1-27-19-11-5-3-9-17(19)20-21(22(27)30)29(13-15-7-2-4-10-18(15)24)23(26-20)28-12-6-8-16(25)14-28/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3/t16-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391444
PNG
(CHEMBL2147049)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cccc(Cl)c3)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24ClN5O3/c1-28-19-8-7-15(23(32)33)11-18(19)20-21(22(28)31)30(12-14-4-2-5-16(25)10-14)24(27-20)29-9-3-6-17(26)13-29/h2,4-5,7-8,10-11,17H,3,6,9,12-13,26H2,1H3,(H,32,33)/t17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Bos taurus)
BDBM50391467
PNG
(CHEMBL2147057)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C22H22ClN5O/c23-17-9-3-1-6-14(17)12-28-20-19(16-8-2-4-10-18(16)25-21(20)29)26-22(28)27-11-5-7-15(24)13-27/h1-4,6,8-10,15H,5,7,11-13,24H2,(H,25,29)/t15-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP4 by HTS assay


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391452
PNG
(CHEMBL2147062)
Show SMILES COc1cccc(Cn2c(nc3c2c(=O)n(C)c2ccc(cc32)C(O)=O)N2CCC[C@@H](N)C2)c1 |r|
Show InChI InChI=1S/C25H27N5O4/c1-28-20-9-8-16(24(32)33)12-19(20)21-22(23(28)31)30(13-15-5-3-7-18(11-15)34-2)25(27-21)29-10-4-6-17(26)14-29/h3,5,7-9,11-12,17H,4,6,10,13-14,26H2,1-2H3,(H,32,33)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391435
PNG
(CHEMBL2147060)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3F)c2c1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24FN5O3/c1-28-19-9-8-14(23(32)33)11-17(19)20-21(22(28)31)30(12-15-5-2-3-7-18(15)25)24(27-20)29-10-4-6-16(26)13-29/h2-3,5,7-9,11,16H,4,6,10,12-13,26H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
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