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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'farrant' and Initial = 'e'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360473
PNG
(CHEMBL1934749)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(CO)c(C)c12)-c1c(C)cc(C)cc1C |(51.18,-11.74,;52.51,-10.97,;53.85,-11.74,;55.18,-10.97,;56.51,-11.74,;57.85,-10.97,;57.85,-9.43,;56.51,-13.28,;55.18,-14.06,;55.18,-15.6,;53.85,-16.37,;56.51,-16.36,;57.85,-15.6,;59.31,-16.06,;60.21,-14.82,;61.75,-14.81,;62.51,-13.47,;59.3,-13.58,;59.77,-12.11,;57.84,-14.06,;59.79,-17.52,;61.3,-17.83,;62.32,-16.68,;61.78,-19.29,;60.76,-20.45,;61.24,-21.91,;59.25,-20.13,;58.77,-18.67,;57.26,-18.36,)|
Show InChI InChI=1S/C24H34N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-13,29H,8-11,14H2,1-7H3
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360475
PNG
(CHEMBL1934751)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(COC)c(C)c12)-c1c(C)cc(C)cc1C |(10.4,-24.1,;11.73,-23.33,;13.07,-24.1,;14.4,-23.33,;15.73,-24.1,;17.07,-23.33,;17.07,-21.79,;15.73,-25.64,;14.4,-26.41,;14.4,-27.95,;13.07,-28.73,;15.73,-28.72,;17.07,-27.95,;18.53,-28.41,;19.43,-27.17,;20.97,-27.16,;21.73,-25.82,;23.27,-25.81,;18.52,-25.93,;18.99,-24.46,;17.06,-26.41,;19.01,-29.87,;20.52,-30.18,;21.54,-29.03,;21.01,-31.64,;19.98,-32.8,;20.47,-34.26,;18.47,-32.48,;17.99,-31.02,;16.48,-30.71,)|
Show InChI InChI=1S/C25H36N4O/c1-9-11-12-28(10-2)24-22-19(6)21(15-30-8)29(25(22)27-20(7)26-24)23-17(4)13-16(3)14-18(23)5/h13-14H,9-12,15H2,1-8H3
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50360474
PNG
(CHEMBL1934750)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C=O)c(C)c12)-c1c(C)cc(C)cc1C |(-9.11,-24.17,;-7.77,-23.4,;-6.44,-24.17,;-5.11,-23.4,;-3.77,-24.17,;-2.44,-23.4,;-2.44,-21.86,;-3.77,-25.71,;-5.1,-26.48,;-5.1,-28.02,;-6.43,-28.8,;-3.77,-28.79,;-2.44,-28.02,;-.97,-28.48,;-.08,-27.24,;1.46,-27.23,;2.22,-25.89,;-.99,-26,;-.52,-24.53,;-2.44,-26.48,;-.49,-29.94,;1.01,-30.25,;2.03,-29.1,;1.5,-31.71,;.47,-32.87,;.96,-34.33,;-1.04,-32.55,;-1.52,-31.09,;-3.03,-30.78,)|
Show InChI InChI=1S/C24H32N4O/c1-8-10-11-27(9-2)23-21-18(6)20(14-29)28(24(21)26-19(7)25-23)22-16(4)12-15(3)13-17(22)5/h12-14H,8-11H2,1-7H3
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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437403
PNG
(CHEMBL2408771)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#7]-[#6]-2-[#6]-1
Show InChI InChI=1S/C26H32N6O3/c1-17(2)11-13-31-22-23(28-25(31)30-14-19-10-7-12-27-20(19)15-30)29(3)26(35)32(24(22)34)16-21(33)18-8-5-4-6-9-18/h4-6,8-9,11,19-20,27H,7,10,12-16H2,1-3H3
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n/an/a 0.0500n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 0.200n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437403
PNG
(CHEMBL2408771)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#7]-[#6]-2-[#6]-1
Show InChI InChI=1S/C26H32N6O3/c1-17(2)11-13-31-22-23(28-25(31)30-14-19-10-7-12-27-20(19)15-30)29(3)26(35)32(24(22)34)16-21(33)18-8-5-4-6-9-18/h4-6,8-9,11,19-20,27H,7,10,12-16H2,1-3H3
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n/an/a 0.270n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 0.400n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 0.600n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50228407
PNG
(8-((R)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1
Show InChI InChI=1S/C24H30N6O3/c1-16(2)11-13-29-20-21(26-23(29)28-12-7-10-18(25)14-28)27(3)24(33)30(22(20)32)15-19(31)17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,25H2,1-3H3/t18-/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50228407
PNG
(8-((R)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1
Show InChI InChI=1S/C24H30N6O3/c1-16(2)11-13-29-20-21(26-23(29)28-12-7-10-18(25)14-28)27(3)24(33)30(22(20)32)15-19(31)17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,25H2,1-3H3/t18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437404
PNG
(CHEMBL2408655)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-2-[#6]-[#7]-[#6]-[#6]-1-2
Show InChI InChI=1S/C25H30N6O3/c1-16(2)9-11-30-21-22(27-24(30)29-12-10-18-13-26-14-19(18)29)28(3)25(34)31(23(21)33)15-20(32)17-7-5-4-6-8-17/h4-9,18-19,26H,10-15H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 1n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50228407
PNG
(8-((R)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1
Show InChI InChI=1S/C24H30N6O3/c1-16(2)11-13-29-20-21(26-23(29)28-12-7-10-18(25)14-28)27(3)24(33)30(22(20)32)15-19(31)17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,25H2,1-3H3/t18-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437404
PNG
(CHEMBL2408655)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-2-[#6]-[#7]-[#6]-[#6]-1-2
Show InChI InChI=1S/C25H30N6O3/c1-16(2)9-11-30-21-22(27-24(30)29-12-10-18-13-26-14-19(18)29)28(3)25(34)31(23(21)33)15-20(32)17-7-5-4-6-8-17/h4-9,18-19,26H,10-15H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50437403
PNG
(CHEMBL2408771)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#7]-[#6]-2-[#6]-1
Show InChI InChI=1S/C26H32N6O3/c1-17(2)11-13-31-22-23(28-25(31)30-14-19-10-7-12-27-20(19)15-30)29(3)26(35)32(24(22)34)16-21(33)18-8-5-4-6-9-18/h4-6,8-9,11,19-20,27H,7,10,12-16H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Abl1 kinase (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427749
PNG
(CHEMBL2324924)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cncc4nccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)
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n/an/a 2n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 3n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 6n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437395
PNG
(CHEMBL2408638)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]C([#6])([#6])[#6]-[#7])nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C24H31N5O4/c1-16(2)11-12-28-19-20(26-22(28)33-15-24(3,4)14-25)27(5)23(32)29(21(19)31)13-18(30)17-9-7-6-8-10-17/h6-11H,12-15,25H2,1-5H3
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n/an/a 6.5n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 7n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 8n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437395
PNG
(CHEMBL2408638)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]C([#6])([#6])[#6]-[#7])nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C24H31N5O4/c1-16(2)11-12-28-19-20(26-22(28)33-15-24(3,4)14-25)27(5)23(32)29(21(19)31)13-18(30)17-9-7-6-8-10-17/h6-11H,12-15,25H2,1-5H3
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n/an/a 9n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50437404
PNG
(CHEMBL2408655)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-2-[#6]-[#7]-[#6]-[#6]-1-2
Show InChI InChI=1S/C25H30N6O3/c1-16(2)9-11-30-21-22(27-24(30)29-12-10-18-13-26-14-19(18)29)28(3)25(34)31(23(21)33)15-20(32)17-7-5-4-6-8-17/h4-9,18-19,26H,10-15H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427748
PNG
(CHEMBL2324925)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cnccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-31-24-16-30-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50360470
PNG
(CHEMBL1934746)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O |r,c:18,t:11|
Show InChI InChI=1S/C29H33NO3/c1-4-14-29(33)15-13-26-24-11-7-20-16-22(32)10-12-23(20)27(24)25(17-28(26,29)2)19-5-8-21(9-6-19)30(3)18-31/h5-6,8-9,16,18,24-26,33H,7,10-13,15,17H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor


Bioorg Med Chem Lett 22: 723-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.066
BindingDB Entry DOI: 10.7270/Q2J67HCF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 11n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50437404
PNG
(CHEMBL2408655)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-2-[#6]-[#7]-[#6]-[#6]-1-2
Show InChI InChI=1S/C25H30N6O3/c1-16(2)9-11-30-21-22(27-24(30)29-12-10-18-13-26-14-19(18)29)28(3)25(34)31(23(21)33)15-20(32)17-7-5-4-6-8-17/h4-9,18-19,26H,10-15H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 12n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427745
PNG
(CHEMBL2324927)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27F3N8O/c1-35-11-13-37(14-12-35)18-19-6-7-20(15-23(19)27(28,29)30)32-26(39)33-24-16-21(36(2)34-24)8-9-22-17-31-25-5-3-4-10-38(22)25/h3-7,10,15-17H,11-14,18H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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n/an/a 13n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427744
PNG
(CHEMBL2324928)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cccnc4)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H26F3N7O/c1-33-10-12-35(13-11-33)17-19-6-7-20(14-22(19)25(26,27)28)30-24(36)31-23-15-21(34(2)32-23)8-5-18-4-3-9-29-16-18/h3-4,6-7,9,14-16H,10-13,17H2,1-2H3,(H2,30,31,32,36)
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n/an/a 14n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 15n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427750
PNG
(CHEMBL2324923)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cncc5nccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-9-11-37(12-10-35)17-18-3-4-19(13-22(18)26(27,28)29)32-25(39)33-23-14-20(36(2)34-23)5-6-21-15-30-16-24-31-7-8-38(21)24/h3-4,7-8,13-16H,9-12,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437396
PNG
(CHEMBL2408651)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3/t18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437402
PNG
(CHEMBL2408774)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-2-[#6]-1
Show InChI InChI=1S/C25H30N6O3/c1-16(2)10-12-30-21-22(27-24(30)29-13-18-9-11-26-19(18)14-29)28(3)25(34)31(23(21)33)15-20(32)17-7-5-4-6-8-17/h4-8,10,18-19,26H,9,11-15H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50437396
PNG
(CHEMBL2408651)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#8]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2)nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3/t18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibition of porcine DPP4


ACS Med Chem Lett 4: 768-72 (2013)


Article DOI: 10.1021/ml400171b
BindingDB Entry DOI: 10.7270/Q2HQ41BX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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n/an/a 18n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427743
PNG
(CHEMBL2324929)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4ccc(N)nc4)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C25H27F3N8O/c1-34-9-11-36(12-10-34)16-18-5-6-19(13-21(18)25(26,27)28)31-24(37)32-23-14-20(35(2)33-23)7-3-17-4-8-22(29)30-15-17/h4-6,8,13-15H,9-12,16H2,1-2H3,(H2,29,30)(H2,31,32,33,37)
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n/an/a 22n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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n/an/a 24n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of P38alpha (unknown origin)


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427741
PNG
(CHEMBL2324931)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)cc1C#Cc1cnc2ccccn12
Show InChI InChI=1S/C31H30F3N5O2/c1-22-5-9-26(18-23(22)8-10-27-20-35-29-4-2-3-11-39(27)29)36-30(41)24-6-7-25(28(19-24)31(32,33)34)21-38-14-12-37(13-15-38)16-17-40/h2-7,9,11,18-20,40H,12-17,21H2,1H3,(H,36,41)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427747
PNG
(CHEMBL2324926)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5cccnn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F3N9O/c1-35-10-12-37(13-11-35)17-18-5-6-19(14-22(18)26(27,28)29)32-25(39)33-23-15-20(36(2)34-23)7-8-21-16-30-24-4-3-9-31-38(21)24/h3-6,9,14-16H,10-13,17H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427745
PNG
(CHEMBL2324927)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3cc(C#Cc4cnc5ccccn45)n(C)n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27F3N8O/c1-35-11-13-37(14-12-35)18-19-6-7-20(15-23(19)27(28,29)30)32-26(39)33-24-16-21(36(2)34-24)8-9-22-17-31-25-5-3-4-10-38(22)25/h3-7,10,15-17H,11-14,18H2,1-2H3,(H2,32,33,34,39)
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Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
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