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Compile Data Set for Download or QSAR

Found 3151 hits with Last Name = 'johnson' and Initial = 'tl'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM291573
PNG
(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-16H,1H2,(H,29,31)(H3,26,27,28,30)
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 530n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM291413
PNG
(1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-2-21(31)30-14-25(15-30)12-18(13-25)29-24-22(23(26)27-16-28-24)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H3,26,27,28,29)
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 780n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM291455
PNG
(N-(4-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC23CC(C2)(CC3)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |(-.82,-6.28,;-2.15,-5.51,;-3.48,-6.28,;-4.82,-5.51,;-4.82,-3.97,;-3.48,-3.2,;-3.48,-1.66,;-4.82,-.89,;-4.82,.65,;-6.28,1.13,;-5.88,-.36,;-7.19,-.12,;-6.28,-1.37,;-6.68,2.61,;-5.59,3.7,;-4.1,3.3,;-5.99,5.19,;-4.9,6.28,;-2.15,-3.97,;-.82,-3.2,;.52,-3.97,;1.85,-3.2,;1.85,-1.66,;3.19,-.89,;4.52,-1.66,;4.52,-3.2,;5.85,-3.97,;7.19,-3.2,;7.19,-1.66,;5.85,-.89,;.52,-.89,;-.82,-1.66,)|
Show InChI InChI=1S/C25H25N5O2/c1-2-20(31)29-24-12-13-25(14-24,15-24)30-23-21(22(26)27-16-28-23)17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h2-11,16H,1,12-15H2,(H,29,31)(H3,26,27,28,30)
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 1.30E+3n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM291452
PNG
(N-((1R,3S)-3-((6-amino-5-(4-phenoxyphenyl)pyrimidi...)
Show SMILES Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-5,9-14,16,18-19H,1,6-8,15H2,(H,29,31)(H3,26,27,28,30)/t18-,19+/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM291522
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
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 3.10E+3n/an/an/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50519156
PNG
(CHEMBL4466205)
Show SMILES C=CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C27H25N3O2/c1-2-26(31)29-18-8-9-21(19-29)30-25-13-7-6-12-24(25)27(28-30)20-14-16-23(17-15-20)32-22-10-4-3-5-11-22/h2-7,10-17,21H,1,8-9,18-19H2/t21-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM291635
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h1,3-11,17-18H,12-16H2,(H3,26,27,28,29)
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n/an/a 0.200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM291634
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)CCl)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H26ClN5O2/c25-14-21(31)30-12-10-17(11-13-30)15-27-24-22(23(26)28-16-29-24)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H3,26,27,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387635
PNG
(CHEMBL2058338)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(OC)cc3Cl)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)19(28-4)11-17(16)23/h8-11,14,18H,5-7H2,1-4H3
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n/an/a 0.680n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224498
PNG
(US10080750, Compound 176 | US9321760, 176 | US9662...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM291389
PNG
(5-(4-phenoxyphenyl)-N4-((1-(vinylsulfonyl)piperidi...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)S(=O)(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H27N5O3S/c1-2-33(30,31)29-14-12-18(13-15-29)16-26-24-22(23(25)27-17-28-24)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,25,26,27,28)
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n/an/a 0.800n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224498
PNG
(US10080750, Compound 176 | US9321760, 176 | US9662...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224498
PNG
(US10080750, Compound 176 | US9321760, 176 | US9662...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m1/s1
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n/an/a 0.800n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387601
PNG
(CHEMBL2058596)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(F)c(cc3Cl)N(C)C)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClFN4O/c1-5-18(13-6-7-13)28-21-20(26-12(2)22(28)29)14(8-9-25-21)15-10-17(24)19(27(3)4)11-16(15)23/h8-11,13,18H,5-7H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224487
PNG
(US10080750, Compound 165 | US9321760, 165 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H23ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224487
PNG
(US10080750, Compound 165 | US9321760, 165 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H23ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
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n/an/a 0.900n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224487
PNG
(US10080750, Compound 165 | US9321760, 165 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H23ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM221860
PNG
(US9314468, Table 7, Compound 147)
Show SMILES C(CN(Cc1nccc2c3ccccc3n(CCC3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
Show InChI InChI=1S/C35H46N6O/c1-2-9-32-29(8-1)30-11-16-37-31(35(30)41(32)21-12-27-13-24-42-25-14-27)26-40(20-5-19-39-22-17-36-18-23-39)33-10-3-6-28-7-4-15-38-34(28)33/h1-2,4,7-9,11,15-16,27,33,36H,3,5-6,10,12-14,17-26H2/t33-/m0/s1
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n/an/a 1n/an/an/an/an/a37



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...

US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM291512
PNG
(N-(3-(4-amino-6-((4-phenoxyphenyl)amino)pyrimidin-...)
Show SMILES Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H21N5O2/c1-2-22(31)29-19-8-6-7-17(15-19)23-24(26)27-16-28-25(23)30-18-11-13-21(14-12-18)32-20-9-4-3-5-10-20/h2-16H,1H2,(H,29,31)(H3,26,27,28,30)
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n/an/a 1n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed in baculovirus infected Sf21 cells

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))		BDBM221760
PNG
(US9314468, Table 7, Compound 47)
Show SMILES CC(C)(C)OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12 |r|
Show InChI InChI=1S/C31H39N5O2/c1-31(2,3)38-28(37)21-36-26-13-5-4-12-23(26)24-15-18-33-25(30(24)36)20-35(19-7-6-16-32)27-14-8-10-22-11-9-17-34-29(22)27/h4-5,9,11-13,15,17-18,27H,6-8,10,14,16,19-21,32H2,1-3H3/t27-/m0/s1
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n/an/a 1n/an/an/an/an/a37



Altiris Therapeutics, Inc.

US Patent


Assay Description
Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...

US Patent US9314468 (2016)


BindingDB Entry DOI: 10.7270/Q2DF6Q2P
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387603
PNG
(CHEMBL2058598)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)17(23)11-19(16)28-4/h8-11,14,18H,5-7H2,1-4H3
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224485
PNG
(US10080750, Compound 163 | US9321760, 163 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224485
PNG
(US10080750, Compound 163 | US9321760, 163 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)
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n/an/a 1.30n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224485
PNG
(US10080750, Compound 163 | US9321760, 163 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224508
PNG
(US10080750, Compound 186 | US9321760, 186 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224508
PNG
(US10080750, Compound 186 | US9321760, 186 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224508
PNG
(US10080750, Compound 186 | US9321760, 186 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1
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n/an/a 1.40n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387618
PNG
(CHEMBL2057479)
Show SMILES COCC(C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
Show InChI InChI=1S/C21H21ClFN3O3/c1-11-21(27)26(17(10-28-2)12-4-5-12)20-19(25-11)13(6-7-24-20)14-8-16(23)18(29-3)9-15(14)22/h6-9,12,17H,4-5,10H2,1-3H3
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Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224340
PNG
(US10080750, Compound 17 | US9321760, 17 | US966233...)
Show SMILES CN(C)C[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m0/s1
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n/an/a 1.70n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224340
PNG
(US10080750, Compound 17 | US9321760, 17 | US966233...)
Show SMILES CN(C)C[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224340
PNG
(US10080750, Compound 17 | US9321760, 17 | US966233...)
Show SMILES CN(C)C[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387639
PNG
(CHEMBL2058593)
Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3/t17-/m1/s1
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Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
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n/an/a 1.80n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...

Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224469
PNG
(US10080750, Compound 147 | US9321760, 147 | US9662...)
Show SMILES CN(C)CCOC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31F2N5O/c1-32(2)15-16-34-24(19-5-9-22(28)10-6-19)20-11-13-33(14-12-20)26-23(25(29)30-17-31-26)18-3-7-21(27)8-4-18/h3-10,17,20,24H,11-16H2,1-2H3,(H2,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224469
PNG
(US10080750, Compound 147 | US9321760, 147 | US9662...)
Show SMILES CN(C)CCOC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31F2N5O/c1-32(2)15-16-34-24(19-5-9-22(28)10-6-19)20-11-13-33(14-12-20)26-23(25(29)30-17-31-26)18-3-7-21(27)8-4-18/h3-10,17,20,24H,11-16H2,1-2H3,(H2,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387636
PNG
(CHEMBL2058589)
Show SMILES CCOc1cc(Cl)c(cc1C)-c1ccnc2n(C(CC)C3CC3)c(=O)c(C)nc12
Show InChI InChI=1S/C23H26ClN3O2/c1-5-19(15-7-8-15)27-22-21(26-14(4)23(27)28)16(9-10-25-22)17-11-13(3)20(29-6-2)12-18(17)24/h9-12,15,19H,5-8H2,1-4H3
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Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224469
PNG
(US10080750, Compound 147 | US9321760, 147 | US9662...)
Show SMILES CN(C)CCOC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31F2N5O/c1-32(2)15-16-34-24(19-5-9-22(28)10-6-19)20-11-13-33(14-12-20)26-23(25(29)30-17-31-26)18-3-7-21(27)8-4-18/h3-10,17,20,24H,11-16H2,1-2H3,(H2,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM291413
PNG
(1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-2-21(31)30-14-25(15-30)12-18(13-25)29-24-22(23(26)27-16-28-24)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H3,26,27,28,29)
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n/an/a 2.10n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...

J Med Chem 62: 7643-7655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00794
BindingDB Entry DOI: 10.7270/Q21R6TXT
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50387617
PNG
(CHEMBL2057478)
Show SMILES CCC(COC)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O
Show InChI InChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R

Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224325
PNG
(US10080750, Compound 2 | US9321760, 2 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224325
PNG
(US10080750, Compound 2 | US9321760, 2 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)
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n/an/a 2.20n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224325
PNG
(US10080750, Compound 2 | US9321760, 2 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224460
PNG
(US10080750, Compound 138 | US9321760, 138 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN4O/c23-17-5-1-15(2-6-17)20(29)16-9-11-28(12-10-16)22-19(21(25)26-13-27-22)14-3-7-18(24)8-4-14/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9321760 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D2R
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224460
PNG
(US10080750, Compound 138 | US9321760, 138 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN4O/c23-17-5-1-15(2-6-17)20(29)16-9-11-28(12-10-16)22-19(21(25)26-13-27-22)14-3-7-18(24)8-4-14/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224460
PNG
(US10080750, Compound 138 | US9321760, 138 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN4O/c23-17-5-1-15(2-6-17)20(29)16-9-11-28(12-10-16)22-19(21(25)26-13-27-22)14-3-7-18(24)8-4-14/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224326
PNG
(US10080750, Compound 3 | US9321760, 3 | US9662330,...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)/t19-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM224497
PNG
(US10080750, Compound 175 | US9321760, 175 | US9662...)
Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US9662330 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6G04
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224326
PNG
(US10080750, Compound 3 | US9321760, 3 | US9662330,...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)/t19-/m1/s1
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n/an/a 2.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224526
PNG
(US10080750, Compound 204 | US9321760, 204 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1cccc(F)c1
Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-2-13(8-14)18-19(26)29-12-30-20(18)31-7-6-22(27,11-31)10-28-21(32)16-5-4-15(24)9-17(16)25/h1-5,8-9,12H,6-7,10-11,27H2,(H,28,32)(H2,26,29,30)
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n/an/a 2.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E]


(Homo sapiens (Human))		BDBM224497
PNG
(US10080750, Compound 175 | US9321760, 175 | US9662...)
Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...

US Patent US10080750 (2018)


BindingDB Entry DOI: 10.7270/Q2WS8W9F
More data for this
Ligand-Target Pair
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