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Compile Data Set for Download or QSAR

Found 633 hits with Last Name = 'tesmer' and Initial = 'jj'   
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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 11n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 11n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 12n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 17n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2 (unknown origin)


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173315
PNG
(CHEMBL3809100 | US10023564, Example 4)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 21n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173315
PNG
(CHEMBL3809100 | US10023564, Example 4)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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US Patent
n/an/a 21n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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US Patent
n/an/a 23n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 23n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50257350
PNG
(CHEMBL1738877)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
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n/an/a 30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260141
PNG
(CHEMBL4097393)
Show SMILES Cc1cc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n[nH]1
Show InChI InChI=1S/C25H27FN4O4/c1-15-8-18(30-29-15)12-28-25(31)21-9-16(2-4-22(21)26)20-6-7-27-11-17(20)13-32-19-3-5-23-24(10-19)34-14-33-23/h2-5,8-10,17,20,27H,6-7,11-14H2,1H3,(H,28,31)(H,29,30)/t17-,20-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260140
PNG
(CHEMBL4090144)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccn[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
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n/an/a 30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2 (unknown origin)


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2-mediated bovine tubulin phosphorylation by scintillation counting


J Med Chem 53: 1867-70 (2010)


Article DOI: 10.1021/jm9017515
BindingDB Entry DOI: 10.7270/Q2P26Z8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK3-mediated bovine tubulin phosphorylation by scintillation counting


J Med Chem 53: 1867-70 (2010)


Article DOI: 10.1021/jm9017515
BindingDB Entry DOI: 10.7270/Q2P26Z8Z
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173311
PNG
(CHEMBL3810073 | US10023564, Example 6)
Show SMILES COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-6-10-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-5-9-22(29)21(12-17)26(36)30-13-16-3-7-20(39-2)8-4-16/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 50n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173311
PNG
(CHEMBL3810073 | US10023564, Example 6)
Show SMILES COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-6-10-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-5-9-22(29)21(12-17)26(36)30-13-16-3-7-20(39-2)8-4-16/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 57n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 57n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 60n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 61n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 69n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 69n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 70n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173309
PNG
(CHEMBL3809913 | US10023564, Example 10)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H27FN6O3/c1-15-5-4-6-16(2)22(15)14-31-27(37)21-12-18(7-9-23(21)30)26-25(17(3)33-29(39)35-26)28(38)34-20-8-10-24-19(11-20)13-32-36-24/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 70n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 78n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357915
PNG
((E)-2-(((Dimethylamino)methylene)amino)-7-isopropy...)
Show SMILES CC(C)c1ccc2oc3nc(\N=C\N(C)C)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C19H19N3O4/c1-10(2)11-5-6-15-12(7-11)16(23)13-8-14(19(24)25)17(20-9-22(3)4)21-18(13)26-15/h5-10H,1-4H3,(H,24,25)/b20-9+
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n/an/a 80n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...


US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 84n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 97n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 97n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357864
PNG
(US10214536, Compound 24)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)N1CCOCC1
Show InChI InChI=1S/C17H15N3O5/c18-15-12(17(22)23)8-11-14(21)10-7-9(20-3-5-24-6-4-20)1-2-13(10)25-16(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...


US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 110n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 120n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173308
PNG
(CHEMBL3810271 | US10023564, Example 9)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(Cl)cccc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21Cl2FN6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 130n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173319
PNG
(CHEMBL3809020 | US10023564, Example 11)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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US Patent
n/an/a 130n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50173319
PNG
(CHEMBL3809020 | US10023564, Example 11)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 130n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173319
PNG
(CHEMBL3809020 | US10023564, Example 11)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 130n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2 (unknown origin)


J Med Chem 60: 3052-3069 (2017)


BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM283998
PNG
(E24 | US10023564, Example 24)
Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1
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n/an/a 140n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 150n/an/an/an/a7.0n/a



The Regents of the University of Michigan

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357870
PNG
(US10214536, Compound 38)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O
Show InChI InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)
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n/an/a 150n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...


US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173329
PNG
(CHEMBL3809697 | US10023564, Example 15)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 150n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173329
PNG
(CHEMBL3809697 | US10023564, Example 15)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 150n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357869
PNG
(US10214536, Compound 36)
Show SMILES CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O
Show InChI InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)
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n/an/a 160n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...


US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK5-mediated bovine tubulin phosphorylation by scintillation counting


J Med Chem 53: 1867-70 (2010)


Article DOI: 10.1021/jm9017515
BindingDB Entry DOI: 10.7270/Q2P26Z8Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM283997
PNG
(E23 | US10023564, Example 23)
Show SMILES COC(=O)C1(CCCCC1)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
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n/an/a 160n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 28: 1507-1515 (2018)


BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM283996
PNG
(E22 | US10023564, Example 22)
Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1
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n/an/a 160n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 28: 1507-1515 (2018)


BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM357894
PNG
(US10214536, Compound 76)
Show SMILES Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylatio...


US Patent US10214536 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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