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35 similar compounds to monomer 50391478

Compile data set for download or QSAR
Wt: 483.9
BDBM50391433
Wt: 435.9
BDBM50391434
Wt: 449.4
BDBM50391435
Wt: 479.9
BDBM50391436
Wt: 431.4
BDBM50391437
Wt: 449.9
BDBM50391438
Wt: 498.0
BDBM50391439
Wt: 446.9
BDBM50391442
Wt: 465.9
BDBM50391443
Wt: 465.9
BDBM50391444
Wt: 465.9
BDBM50391445
Wt: 498.0
BDBM50391446
Wt: 435.9
BDBM50391447
Wt: 439.9
BDBM50391448
Wt: 479.9
BDBM50391449
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50391433,50391434,50391435,50391436,50391437,50391438,50391439,50391442,50391443,50391444,50391445,50391446,50391447,50391448,50391449   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2A6


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2A6


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))
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>1.00E+5n/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))
BDBM50391434
PNG
(CHEMBL2147192)
Show SMILES Cc1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1
Show InChI InChI=1/C24H26ClN5O/c1-15-9-10-18-20(12-15)28(2)23(31)22-21(18)27-24(29-11-5-7-17(26)14-29)30(22)13-16-6-3-4-8-19(16)25/h3-4,6,8-10,12,17H,5,7,11,13-14,26H2,1-2H3/t17-/s2
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n/an/a 340n/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
Show InChI InChI=1/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-/s2
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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
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))
BDBM50391437
PNG
(CHEMBL2147086)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O)C(O)=O
Show InChI InChI=1/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-/s2
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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))
BDBM50391438
PNG
(CHEMBL2147185)
Show SMILES CCCn1c2ccccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O
Show InChI InChI=1/C25H28ClN5O/c1-2-13-30-21-12-6-4-10-19(21)22-23(24(30)32)31(15-17-8-3-5-11-20(17)26)25(28-22)29-14-7-9-18(27)16-29/h3-6,8,10-12,18H,2,7,9,13-16,27H2,1H3/t18-/s2
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n/an/a 3.40E+3n/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))
BDBM50391439
PNG
(CHEMBL2147186)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)n(Cc1ccccc1)c1ccccc21
Show InChI InChI=1/C29H28ClN5O/c30-24-14-6-4-11-21(24)18-35-27-26(32-29(35)33-16-8-12-22(31)19-33)23-13-5-7-15-25(23)34(28(27)36)17-20-9-2-1-3-10-20/h1-7,9-11,13-15,22H,8,12,16-19,31H2/t22-/s2
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n/an/a>1.00E+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
Cytochrome P450 2D6 (2D6)


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 3A


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 2C19


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


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
Potassium voltage-gated channel subfamily H member 2


(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 1.20E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Cytochrome P450 1A


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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))
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
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))
BDBM50391444
PNG
(CHEMBL2147049)
Show SMILES Cn1c2ccc(cc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cccc(Cl)c3)c2c1=O)C(O)=O
Show InChI InChI=1/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-/s2
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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


(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))
BDBM50391446
PNG
(CHEMBL2147191)
Show SMILES Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3Cl)c2c1=O)-c1ccccc1
Show InChI InChI=1/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-/s2
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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))
BDBM50391447
PNG
(CHEMBL2147076)
Show SMILES Cc1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1
Show InChI InChI=1/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-/s2
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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))
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
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))
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
Cytochrome P450 2C8


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8


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
Fibroblast activation protein alpha


(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 3.06E+4n/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
Potassium voltage-gated channel subfamily H member 2


(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 1.81E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Cytochrome P450 2C9


(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>5.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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 2 (DPP II)


(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>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP2 using Lys-Ala-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
Potassium voltage-gated channel subfamily H member 2


(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>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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))
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>1.00E+5n/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