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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'ikuma' and Initial = 'y'   
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
Show InChI InChI=1/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?/s2
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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
Show InChI InChI=1/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?/s2
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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 VIII


(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
Show InChI InChI=1/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?/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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 Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1
Show InChI InChI=1/C29H28ClN5O6.ClH/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;1H/t19-;/s2
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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
Show InChI InChI=1/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-/s2
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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
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 Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4Cl)c3c(=O)n(C)c2c1
Show InChI InChI=1/C29H27ClFN5O6.ClH/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;1H/t19-;/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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 Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4cc(F)ccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1
Show InChI InChI=1/C29H27ClFN5O6.ClH/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;1H/t19-;/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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 Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1
Show InChI InChI=1/C29H28ClN5O6.ClH/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;1H/t19-;/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339899
PNG
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23+,26-/s2
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n/an/a 6n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339903
PNG
(US9758480, 114)
Show SMILES CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1
Show InChI InChI=1/C30H42FN5O5S/c1-42(40,41)35-28(37)26-16-21-15-22(11-12-25(21)34-26)33-29(38)27-23(18-5-3-2-4-6-18)13-14-36(27)30(39)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27,34H,2-10,13-14,17,32H2,1H3,(H,33,38)(H,35,37)/t19-,20-,23-,24+,27-/s2
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n/an/a 7n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339926
PNG
(Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxyc...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1/C33H47FN6O6S/c34-20-27(35)22-6-8-23(9-7-22)33(43)40-13-12-26(21-4-2-1-3-5-21)30(40)32(42)36-25-10-11-28-24(18-25)19-29(37-28)31(41)38-47(44,45)39-14-16-46-17-15-39/h10-11,18-19,21-23,26-27,30,37H,1-9,12-17,20,35H2,(H,36,42)(H,38,41)/t22-,23-,26-,27+,30-/s2
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n/an/a 8n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339882
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1/C28H32N4O4/c29-16-17-6-8-19(9-7-17)27(34)32-13-12-22(18-4-2-1-3-5-18)25(32)26(33)30-21-10-11-23-20(14-21)15-24(31-23)28(35)36/h1-5,10-11,14-15,17,19,22,25,31H,6-9,12-13,16,29H2,(H,30,33)(H,35,36)/t17-,19-,22?,25-/s2
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n/an/a 9n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339927
PNG
(Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1
Show InChI InChI=1/C34H49FN6O5S/c35-21-28(36)23-9-11-24(12-10-23)34(44)41-18-15-27(22-7-3-1-4-8-22)31(41)33(43)37-26-13-14-29-25(19-26)20-30(38-29)32(42)39-47(45,46)40-16-5-2-6-17-40/h13-14,19-20,22-24,27-28,31,38H,1-12,15-18,21,36H2,(H,37,43)(H,39,42)/t23-,24-,27-,28+,31-/s2
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n/an/a 10n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339889
PNG
(US9758480, 35)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23?,26-/s2
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n/an/a 14n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339888
PNG
(US9758480, 34)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/s2
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n/an/a 28n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339925
PNG
(Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1
Show InChI InChI=1/C31H44FN5O6S/c1-36(2)44(41,42)35-29(38)27-17-22-16-23(12-13-26(22)43-27)34-30(39)28-24(19-6-4-3-5-7-19)14-15-37(28)31(40)21-10-8-20(9-11-21)25(33)18-32/h12-13,16-17,19-21,24-25,28H,3-11,14-15,18,33H2,1-2H3,(H,34,39)(H,35,38)/t20-,21-,24-,25+,28-/s2
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n/an/a 29n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339890
PNG
(US9758480, 38)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23?,26-/s2
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339920
PNG
(US9758480, 184 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22+,26-/s2
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339919
PNG
(Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23-,26+/s2
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n/an/a 33n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339884
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(N)=O)c1ccccc1
Show InChI InChI=1/C28H33N5O3/c29-16-17-6-8-19(9-7-17)28(36)33-13-12-22(18-4-2-1-3-5-18)25(33)27(35)31-21-10-11-23-20(14-21)15-24(32-23)26(30)34/h1-5,10-11,14-15,17,19,22,25,32H,6-9,12-13,16,29H2,(H2,30,34)(H,31,35)/t17-,19-,22?,25-/s2
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339896
PNG
(5-[(2S,3S)-1-{trans-4-[(1S)-1-(tert-Butoxycarbonyl...)
Show SMILES N[C@H](CF)C1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18?,19-,22-,23-,26+/s2
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339906
PNG
((2S)-Tetrahydrofuran-2-ylmethyl 5-({(3S)-1-[(trans...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1/C35H37FN4O6S/c36-21-29(37)23-11-13-24(14-12-23)35(43)40-18-17-28(22-7-3-1-4-8-22)32(40)34(42)38-26-15-16-30-25(19-26)20-31(46-30)33(41)39-47(44,45)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32H,11-14,17-18,21,37H2,(H,38,42)(H,39,41)/t23-,24-,28-,29-,32+/s2
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n/an/a 43n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339893
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(F)c2c1)C1CCCCC1
Show InChI InChI=1/C29H38F2N4O4/c30-15-22(32)17-6-8-18(9-7-17)28(37)35-13-12-20(16-4-2-1-3-5-16)26(35)27(36)33-19-10-11-23-21(14-19)24(31)25(34-23)29(38)39/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/s2
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n/an/a 45n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391441
PNG
(CHEMBL2147066)
Show SMILES CC(C)=CCn1c(nc2c1c(=O)n(C)c1ccc(cc21)C(O)=O)N1CCC[C@@H](N)C1
Show InChI InChI=1/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-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339910
PNG
(US9758480, 134)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(F)c1)C1CCCCC1
Show InChI InChI=1/C32H41F2N5O5S/c33-19-27(35)21-9-11-22(12-10-21)32(42)39-17-15-24(20-6-2-1-3-7-20)29(39)31(41)37-23-13-14-25(26(34)18-23)30(40)38-45(43,44)28-8-4-5-16-36-28/h4-5,8,13-14,16,18,20-22,24,27,29H,1-3,6-7,9-12,15,17,19,35H2,(H,37,41)(H,38,40)/t21-,22-,24-,27+,29-/s2
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n/an/a 54n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2D50Q33
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
Show InChI InChI=1/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-/s2
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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
Show InChI InChI=1/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-/s2
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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
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