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Compile Data Set for Download or QSAR

Found 155 hits from Boehringer-Ingelheim Pharmaceuticals, Inc.   
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
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360301
PNG
(CHEMBL1933288 | US9150577, 93)
Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360293
PNG
(CHEMBL1933280 | US9150577, 81)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360291
PNG
(CHEMBL1933278 | US9150577, 114)
Show SMILES O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-15-4-7-23-8-5-15)17-3-2-16-10-20-22(30)24-6-1-9-28(20)19(16)11-17/h2-5,7-8,10-12,14H,1,6,9,13H2,(H,24,30)(H,26,29)
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n/an/a 2n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319728
PNG
(CHEMBL1083747 | rac-4-(3-bromophenyl)-N-(7-chloro-...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1cccc(Br)c1
Show InChI InChI=1S/C20H17BrClN3O2/c21-13-3-1-2-11(6-13)15-9-23-10-16(15)20(27)25-18-7-12-4-5-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)
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n/an/a 2n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319707
PNG
(CHEMBL1083276 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES FC(F)(F)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C21H17ClF3N3O2/c22-17-8-14-12(4-5-27-19(14)29)7-18(17)28-20(30)16-10-26-9-15(16)11-2-1-3-13(6-11)21(23,24)25/h1-8,15-16,26H,9-10H2,(H,27,29)(H,28,30)
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n/an/a 4n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50361851
PNG
(CHEMBL1938803 | US9150577, 55)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C20H17N5O2/c26-18(24-20-22-14-4-1-2-5-15(14)23-20)13-7-6-12-10-17-19(27)21-8-3-9-25(17)16(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H,21,27)(H2,22,23,24,26)
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n/an/a 4n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319717
PNG
(CHEMBL1084051 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES CCc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C22H22ClN3O2/c1-2-13-4-3-5-14(8-13)17-11-24-12-18(17)22(28)26-20-9-15-6-7-25-21(27)16(15)10-19(20)23/h3-10,17-18,24H,2,11-12H2,1H3,(H,25,27)(H,26,28)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319716
PNG
((3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360300
PNG
(CHEMBL1933287 | US9150577, 105)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2cccnc12
Show InChI InChI=1S/C21H20N6O2/c1-2-26-18-15(5-3-8-22-18)24-21(26)25-19(28)14-7-6-13-11-17-20(29)23-9-4-10-27(17)16(13)12-14/h3,5-8,11-12H,2,4,9-10H2,1H3,(H,23,29)(H,24,25,28)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319713
PNG
(CHEMBL1084653 | rac-4-(4-bromophenyl)-N-(7-chloro-...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccc(Br)cc1
Show InChI InChI=1S/C20H17BrClN3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319729
PNG
(CHEMBL1083748 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES COc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C21H20ClN3O3/c1-28-14-4-2-3-12(7-14)16-10-23-11-17(16)21(27)25-19-8-13-5-6-24-20(26)15(13)9-18(19)22/h2-9,16-17,23H,10-11H2,1H3,(H,24,26)(H,25,27)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319730
PNG
(CHEMBL1083749 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Cc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C21H20ClN3O2/c1-12-3-2-4-13(7-12)16-10-23-11-17(16)21(27)25-19-8-14-5-6-24-20(26)15(14)9-18(19)22/h2-9,16-17,23H,10-11H2,1H3,(H,24,26)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319714
PNG
(CHEMBL1082819 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1ccc(cc1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)
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n/an/a 6n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360297
PNG
(CHEMBL1933284)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H20ClN5O2/c1-2-27-17-7-6-15(23)12-16(17)25-22(27)26-20(29)14-5-4-13-10-19-21(30)24-8-3-9-28(19)18(13)11-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,30)(H,25,26,29)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319726
PNG
(CHEMBL1084324 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCCC1c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2/c22-18-11-16-14(6-9-24-20(16)26)10-19(18)25-21(27)17-12-23-8-7-15(17)13-4-2-1-3-5-13/h1-6,9-11,15,17,23H,7-8,12H2,(H,24,26)(H,25,27)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319727
PNG
(CHEMBL1084597 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccccc1
Show InChI InChI=1S/C20H18ClN3O2/c21-17-9-14-13(6-7-23-19(14)25)8-18(17)24-20(26)16-11-22-10-15(16)12-4-2-1-3-5-12/h1-9,15-16,22H,10-11H2,(H,23,25)(H,24,26)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319731
PNG
(CHEMBL1085773 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES CC(C)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C23H24ClN3O2/c1-13(2)14-4-3-5-15(8-14)18-11-25-12-19(18)23(29)27-21-9-16-6-7-26-22(28)17(16)10-20(21)24/h3-10,13,18-19,25H,11-12H2,1-2H3,(H,26,28)(H,27,29)
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Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319733
PNG
(CHEMBL1084800 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES FC(F)(F)Oc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C21H17ClF3N3O3/c22-17-8-14-12(4-5-27-19(14)29)7-18(17)28-20(30)16-10-26-9-15(16)11-2-1-3-13(6-11)31-21(23,24)25/h1-8,15-16,26H,9-10H2,(H,27,29)(H,28,30)
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n/an/a 7n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360289
PNG
(CHEMBL1933149 | US9150577, 33)
Show SMILES O=C(Nc1cnn(CC2CCCCC2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C23H27N5O2/c29-22(26-19-13-25-27(15-19)14-16-5-2-1-3-6-16)18-8-7-17-11-21-23(30)24-9-4-10-28(21)20(17)12-18/h7-8,11-13,15-16H,1-6,9-10,14H2,(H,24,30)(H,26,29)
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n/an/a 7n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319708
PNG
(CHEMBL1083799 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1ccc(C2CNCC2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl3N3O2/c21-11-1-2-12(16(22)6-11)14-8-24-9-15(14)20(28)26-18-5-10-3-4-25-19(27)13(10)7-17(18)23/h1-7,14-15,24H,8-9H2,(H,25,27)(H,26,28)
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n/an/a 8n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319710
PNG
(CHEMBL1084104 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1cccnc1
Show InChI InChI=1S/C19H17ClN4O2/c20-16-7-13-11(3-5-23-18(13)25)6-17(16)24-19(26)15-10-22-9-14(15)12-2-1-4-21-8-12/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
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n/an/a 8n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360292
PNG
(CHEMBL1933279 | US9150577, 64)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C21H19N5O2/c1-25-16-6-3-2-5-15(16)23-21(25)24-19(27)14-8-7-13-11-18-20(28)22-9-4-10-26(18)17(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,28)(H,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319712
PNG
(CHEMBL1084110 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Fc1ccc(cc1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17ClFN3O2/c21-17-8-14-12(5-6-24-19(14)26)7-18(17)25-20(27)16-10-23-9-15(16)11-1-3-13(22)4-2-11/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)
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n/an/a 9n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360292
PNG
(CHEMBL1933279 | US9150577, 64)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C21H19N5O2/c1-25-16-6-3-2-5-15(16)23-21(25)24-19(27)14-8-7-13-11-18-20(28)22-9-4-10-26(18)17(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,28)(H,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360290
PNG
(CHEMBL1933277)
Show SMILES O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-17-4-1-2-7-23-17)16-6-5-15-10-20-22(30)24-8-3-9-28(20)19(15)11-16/h1-2,4-7,10-12,14H,3,8-9,13H2,(H,24,30)(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319732
PNG
(CHEMBL1084554 | rac-4-(3-tert-butylphenyl)-N-(7-ch...)
Show SMILES CC(C)(C)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C24H26ClN3O2/c1-24(2,3)16-6-4-5-14(9-16)18-12-26-13-19(18)23(30)28-21-10-15-7-8-27-22(29)17(15)11-20(21)25/h4-11,18-19,26H,12-13H2,1-3H3,(H,27,29)(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319715
PNG
((3R,4S)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES Clc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360288
PNG
(CHEMBL1933148 | US9150577, 23)
Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1
Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)
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n/an/a 11n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319634
PNG
(CHEMBL1084892 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Show InChI InChI=1S/C18H16ClN3O2/c1-20-16(11-5-3-2-4-6-11)18(24)22-15-9-12-7-8-21-17(23)13(12)10-14(15)19/h2-10,16,20H,1H3,(H,21,23)(H,22,24)
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n/an/a 12n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360298
PNG
(CHEMBL1933285 | US9150577, 53)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C22H20ClN5O2/c1-2-27-18-12-15(23)6-7-16(18)25-22(27)26-20(29)14-5-4-13-10-19-21(30)24-8-3-9-28(19)17(13)11-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,30)(H,25,26,29)
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n/an/a 12n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360287
PNG
(CHEMBL1933147)
Show SMILES O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C23H20N4O3/c28-22(25-21-14-18(26-30-21)11-15-5-2-1-3-6-15)17-8-7-16-12-20-23(29)24-9-4-10-27(20)19(16)13-17/h1-3,5-8,12-14H,4,9-11H2,(H,24,29)(H,25,28)
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n/an/a 13n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319709
PNG
(CHEMBL1083800 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccccn1
Show InChI InChI=1S/C19H17ClN4O2/c20-15-8-12-11(4-6-23-18(12)25)7-17(15)24-19(26)14-10-21-9-13(14)16-3-1-2-5-22-16/h1-8,13-14,21H,9-10H2,(H,23,25)(H,24,26)
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n/an/a 14n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360302
PNG
(CHEMBL1933289 | US9150577, 94)
Show SMILES C[C@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens)
BDBM50319716
PNG
((3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRKCL2


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319719
PNG
(2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O2/c18-11-3-1-2-10(6-11)15(20)17(24)22-14-7-9-4-5-21-16(23)12(9)8-13(14)19/h1-8,15H,20H2,(H,21,23)(H,22,24)
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n/an/a 15n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50360301
PNG
(CHEMBL1933288 | US9150577, 93)
Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human LRRK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360284
PNG
(CHEMBL1933068 | US9150577, 198)
Show SMILES O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C19H18N4O3/c24-18(21-17-10-14(22-26-17)11-2-3-11)13-5-4-12-8-16-19(25)20-6-1-7-23(16)15(12)9-13/h4-5,8-11H,1-3,6-7H2,(H,20,25)(H,21,24)
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n/an/a 18n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360282
PNG
(CHEMBL1933143 | US9150577, 193)
Show SMILES Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1
Show InChI InChI=1S/C17H16N4O3/c1-10-7-15(24-20-10)19-16(22)12-4-3-11-8-14-17(23)18-5-2-6-21(14)13(11)9-12/h3-4,7-9H,2,5-6H2,1H3,(H,18,23)(H,19,22)
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n/an/a 19n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360282
PNG
(CHEMBL1933143 | US9150577, 193)
Show SMILES Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1
Show InChI InChI=1S/C17H16N4O3/c1-10-7-15(24-20-10)19-16(22)12-4-3-11-8-14-17(23)18-5-2-6-21(14)13(11)9-12/h3-4,7-9H,2,5-6H2,1H3,(H,18,23)(H,19,22)
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n/an/a 19n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360299
PNG
(CHEMBL1933286 | US9150577, 54)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccc(Cl)cc12
Show InChI InChI=1S/C25H27ClN6O2/c1-30(2)10-4-12-32-21-15-18(26)7-8-19(21)28-25(32)29-23(33)17-6-5-16-13-22-24(34)27-9-3-11-31(22)20(16)14-17/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,27,34)(H,28,29,33)
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n/an/a 20n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360294
PNG
(CHEMBL1933281 | US9150577, 72)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-14(2)28-18-7-4-3-6-17(18)25-23(28)26-21(29)16-9-8-15-12-20-22(30)24-10-5-11-27(20)19(15)13-16/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,24,30)(H,25,26,29)
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n/an/a 20n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360301
PNG
(CHEMBL1933288 | US9150577, 93)
Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell based assay


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50361841
PNG
(CHEMBL1938786 | US9150577, 215)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C20H18N4O3/c21-18(25)14-4-1-2-5-15(14)23-19(26)13-7-6-12-10-17-20(27)22-8-3-9-24(17)16(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H2,21,25)(H,22,27)(H,23,26)
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n/an/a 21n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360296
PNG
(CHEMBL1933283 | US9150577, 96)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C25H28N6O2/c1-29(2)12-6-14-31-20-8-4-3-7-19(20)27-25(31)28-23(32)18-10-9-17-15-22-24(33)26-11-5-13-30(22)21(17)16-18/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,26,33)(H,27,28,32)
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n/an/a 21n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase 2


(Homo sapiens)
BDBM50319716
PNG
((3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6...)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRKG2


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360285
PNG
(CHEMBL1933145 | US9150577, 196)
Show SMILES CC(C)c1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1
Show InChI InChI=1S/C19H20N4O3/c1-11(2)14-10-17(26-22-14)21-18(24)13-5-4-12-8-16-19(25)20-6-3-7-23(16)15(12)9-13/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,25)(H,21,24)
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n/an/a 26n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50361845
PNG
(CHEMBL1938792 | US9150577, 108)
Show SMILES O=C(Nc1ncc[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C16H15N5O2/c22-14(20-16-18-5-6-19-16)11-3-2-10-8-13-15(23)17-4-1-7-21(13)12(10)9-11/h2-3,5-6,8-9H,1,4,7H2,(H,17,23)(H2,18,19,20,22)
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n/an/a 26n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of RSK2 phosphorylation by luminescence assay


Bioorg Med Chem Lett 22: 733-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.030
BindingDB Entry DOI: 10.7270/Q2XW4K7N
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50319711
PNG
(CHEMBL1084105 | rac-N-(7-chloro-1-oxo-1,2-dihydroi...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccncc1
Show InChI InChI=1S/C19H17ClN4O2/c20-16-8-13-12(3-6-23-18(13)25)7-17(16)24-19(26)15-10-22-9-14(15)11-1-4-21-5-2-11/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
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n/an/a 26n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by luciferase based ATP detection assay


Bioorg Med Chem Lett 20: 3746-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.069
BindingDB Entry DOI: 10.7270/Q2XD12MD
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 3


(Homo sapiens (human))
BDBM50360303
PNG
(CHEMBL1933290 | US9150577, 99)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3c2)nc2ccccc12
Show InChI InChI=1S/C27H32N6O2/c1-27(2)16-28-25(35)23-14-18-10-11-19(15-22(18)33(23)17-27)24(34)30-26-29-20-8-5-6-9-21(20)32(26)13-7-12-31(3)4/h5-6,8-11,14-15H,7,12-13,16-17H2,1-4H3,(H,28,35)(H,29,30,34)
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n/an/a 27n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
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