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Compile Data Set for Download or QSAR

Found 86 hits of ic50 data for polymerid = 50007158   
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
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



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
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 |r|
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



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
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



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260140
PNG
(CHEMBL4090144)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccn[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
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



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
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 |c:29|
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



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260143
PNG
(CHEMBL4087244)
Show SMILES Fc1ccc(cc1C(=O)NCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H25FN4O4/c25-21-3-1-16(7-20(21)24(30)27-9-15-10-28-29-11-15)19-5-6-26-12-17(19)13-31-18-2-4-22-23(8-18)33-14-32-22/h1-4,7-8,10-11,17,19,26H,5-6,9,12-14H2,(H,27,30)(H,28,29)/t17-,19-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260139
PNG
(CHEMBL4075712)
Show SMILES Fc1ccc(cc1C(=O)NCCc1c[nH]cn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-16(9-21(22)25(31)29-8-5-18-12-28-14-30-18)20-6-7-27-11-17(20)13-32-19-2-4-23-24(10-19)34-15-33-23/h1-4,9-10,12,14,17,20,27H,5-8,11,13,15H2,(H,28,30)(H,29,31)/t17-,20-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260148
PNG
(CHEMBL4070885)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260145
PNG
(CHEMBL4070290)
Show SMILES Fc1ccc(cc1CC(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H29FN4O4/c27-23-3-1-18(9-19(23)10-26(32)29-8-5-17-12-30-31-13-17)22-6-7-28-14-20(22)15-33-21-2-4-24-25(11-21)35-16-34-24/h1-4,9,11-13,20,22,28H,5-8,10,14-16H2,(H,29,32)(H,30,31)/t20-,22-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50529469
PNG
(CHEMBL4456539)
Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H28N8O3/c1-34(2)14-6-9-22(35)29-16-10-11-20(21(15-16)37-3)31-26-32-24-18(12-13-28-24)25(33-26)30-19-8-5-4-7-17(19)23(27)36/h4-13,15H,14H2,1-3H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)/b9-6+
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n/an/a 680n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay


ACS Med Chem Lett 10: 1628-1634 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00365
BindingDB Entry DOI: 10.7270/Q28W3HR8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566211
PNG
(CHEMBL4799210)
Show SMILES C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
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TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260138
PNG
(CHEMBL4075475)
Show SMILES Fc1ccc(cc1C(=O)NCc1ncc[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H25FN4O4/c25-20-3-1-15(9-19(20)24(30)29-12-23-27-7-8-28-23)18-5-6-26-11-16(18)13-31-17-2-4-21-22(10-17)33-14-32-21/h1-4,7-10,16,18,26H,5-6,11-14H2,(H,27,28)(H,29,30)/t16-,18-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
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 770n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260125
PNG
(CHEMBL4099398)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H27FN2O4/c28-24-8-6-19(12-23(24)27(31)30-14-18-4-2-1-3-5-18)22-10-11-29-15-20(22)16-32-21-7-9-25-26(13-21)34-17-33-25/h1-9,12-13,20,22,29H,10-11,14-17H2,(H,30,31)/t20-,22-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260151
PNG
(CHEMBL4076529)
Show SMILES Fc1ccc(cc1C(=O)NCCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-16(11-21(22)25(31)28-9-5-18-6-10-29-30-18)20-7-8-27-13-17(20)14-32-19-2-4-23-24(12-19)34-15-33-23/h1-4,6,10-12,17,20,27H,5,7-9,13-15H2,(H,28,31)(H,29,30)/t17-,20-/m0/s1
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Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566189
PNG
(CHEMBL4800665)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](C)c2ccccc2)c1C |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260142
PNG
(CHEMBL4079362)
Show SMILES Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r|
Show InChI InChI=1S/C25H27FN4O4/c1-30-9-7-18(29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-6-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-5,7,9-11,17,20,27H,6,8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260133
PNG
(CHEMBL4077197)
Show SMILES Fc1ccc(cc1C(=O)NCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H26FN3O4/c27-23-5-3-18(10-22(23)26(31)30-13-17-2-1-8-28-12-17)21-7-9-29-14-19(21)15-32-20-4-6-24-25(11-20)34-16-33-24/h1-6,8,10-12,19,21,29H,7,9,13-16H2,(H,30,31)/t19-,21-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260127
PNG
(CHEMBL4091281)
Show SMILES Fc1cccc(F)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H25F3N2O4/c28-22-2-1-3-23(29)21(22)13-32-27(33)20-10-16(4-6-24(20)30)19-8-9-31-12-17(19)14-34-18-5-7-25-26(11-18)36-15-35-25/h1-7,10-11,17,19,31H,8-9,12-15H2,(H,32,33)/t17-,19-/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566207
PNG
(CHEMBL4777196)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccncc1 |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260147
PNG
(CHEMBL4063014)
Show SMILES Fc1ccc(cc1C(=O)NCc1c(Cl)cccc1Cl)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H25Cl2FN2O4/c28-22-2-1-3-23(29)21(22)13-32-27(33)20-10-16(4-6-24(20)30)19-8-9-31-12-17(19)14-34-18-5-7-25-26(11-18)36-15-35-25/h1-7,10-11,17,19,31H,8-9,12-15H2,(H,32,33)/t17-,19-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260146
PNG
(CHEMBL4064274)
Show SMILES Fc1cccc(F)c1CCNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H27F3N2O4/c29-23-2-1-3-24(30)21(23)9-11-33-28(34)22-12-17(4-6-25(22)31)20-8-10-32-14-18(20)15-35-19-5-7-26-27(13-19)37-16-36-26/h1-7,12-13,18,20,32H,8-11,14-16H2,(H,33,34)/t18-,20-/m0/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260130
PNG
(CHEMBL4090923)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H31FN2O6/c1-34-25-4-3-5-26(35-2)23(25)15-32-29(33)22-12-18(6-8-24(22)30)21-10-11-31-14-19(21)16-36-20-7-9-27-28(13-20)38-17-37-27/h3-9,12-13,19,21,31H,10-11,14-17H2,1-2H3,(H,32,33)/t19-,21-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260134
PNG
(CHEMBL4072898)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C26H26FN3O4/c27-23-3-1-18(11-22(23)26(31)30-13-17-5-8-28-9-6-17)21-7-10-29-14-19(21)15-32-20-2-4-24-25(12-20)34-16-33-24/h1-6,8-9,11-12,19,21,29H,7,10,13-16H2,(H,30,31)/t19-,21-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566210
PNG
(CHEMBL4796154)
Show SMILES C[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50529467
PNG
(CHEMBL4576822)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)\C=C\CN(C)C)ccc2OC)nc2[nH]ccc12
Show InChI InChI=1S/C28H32N8O3/c1-29-27(38)19-8-5-6-9-21(19)32-26-20-13-14-30-25(20)34-28(35-26)33-22-16-18(11-12-23(22)39-4)17-31-24(37)10-7-15-36(2)3/h5-14,16H,15,17H2,1-4H3,(H,29,38)(H,31,37)(H3,30,32,33,34,35)/b10-7+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay


ACS Med Chem Lett 10: 1628-1634 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00365
BindingDB Entry DOI: 10.7270/Q28W3HR8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260154
PNG
(CHEMBL4077133)
Show SMILES CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H23FN2O4/c1-23-21(25)17-8-13(2-4-18(17)22)16-6-7-24-10-14(16)11-26-15-3-5-19-20(9-15)28-12-27-19/h2-5,8-9,14,16,24H,6-7,10-12H2,1H3,(H,23,25)/t14-,16-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260152
PNG
(CHEMBL4105100)
Show SMILES Cn1nccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C25H27FN4O4/c1-30-18(6-9-29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-7-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-6,9-11,17,20,27H,7-8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260129
PNG
(CHEMBL4098656)
Show SMILES Cc1cccc(C)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H31FN2O4/c1-18-4-3-5-19(2)25(18)15-32-29(33)24-12-20(6-8-26(24)30)23-10-11-31-14-21(23)16-34-22-7-9-27-28(13-22)36-17-35-27/h3-9,12-13,21,23,31H,10-11,14-17H2,1-2H3,(H,32,33)/t21-,23-/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260132
PNG
(CHEMBL4083142)
Show SMILES COc1ccccc1CNC(=O)Cc1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H31FN2O5/c1-34-26-5-3-2-4-20(26)16-32-29(33)13-21-12-19(6-8-25(21)30)24-10-11-31-15-22(24)17-35-23-7-9-27-28(14-23)37-18-36-27/h2-9,12,14,22,24,31H,10-11,13,15-18H2,1H3,(H,32,33)/t22-,24-/m0/s1
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n/an/a 2.37E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260126
PNG
(CHEMBL4073639)
Show SMILES Fc1ccc(cc1C(=O)NCCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H29FN2O4/c29-25-8-6-20(14-24(25)28(32)31-13-10-19-4-2-1-3-5-19)23-11-12-30-16-21(23)17-33-22-7-9-26-27(15-22)35-18-34-26/h1-9,14-15,21,23,30H,10-13,16-18H2,(H,31,32)/t21-,23-/m0/s1
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n/an/a 2.68E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50529470
PNG
(CHEMBL4475305)
Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C26H28N8O3/c1-34(2)14-6-9-22(35)29-16-10-11-21(37-3)20(15-16)31-26-32-24-18(12-13-28-24)25(33-26)30-19-8-5-4-7-17(19)23(27)36/h4-13,15H,14H2,1-3H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)/b9-6+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay


ACS Med Chem Lett 10: 1628-1634 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00365
BindingDB Entry DOI: 10.7270/Q28W3HR8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50529462
PNG
(CHEMBL4569321)
Show SMILES CCC(=O)NCc1ccc(OC)c(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c1
Show InChI InChI=1S/C25H27N7O3/c1-4-21(33)28-14-15-9-10-20(35-3)19(13-15)30-25-31-22-17(11-12-27-22)23(32-25)29-18-8-6-5-7-16(18)24(34)26-2/h5-13H,4,14H2,1-3H3,(H,26,34)(H,28,33)(H3,27,29,30,31,32)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay


ACS Med Chem Lett 10: 1628-1634 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00365
BindingDB Entry DOI: 10.7270/Q28W3HR8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260149
PNG
(CHEMBL4074476)
Show SMILES Fc1ccc(cc1C(=O)NCCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H28FN3O4/c28-24-5-3-19(12-23(24)27(32)31-11-7-18-2-1-9-29-14-18)22-8-10-30-15-20(22)16-33-21-4-6-25-26(13-21)35-17-34-25/h1-6,9,12-14,20,22,30H,7-8,10-11,15-17H2,(H,31,32)/t20-,22-/m0/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50529473
PNG
(CHEMBL4456130)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc(CNC(=O)C=C)ccc2OC)nc2[nH]ccc12
Show InChI InChI=1S/C25H25N7O3/c1-4-21(33)28-14-15-9-10-20(35-3)19(13-15)30-25-31-22-17(11-12-27-22)23(32-25)29-18-8-6-5-7-16(18)24(34)26-2/h4-13H,1,14H2,2-3H3,(H,26,34)(H,28,33)(H3,27,29,30,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay


ACS Med Chem Lett 10: 1628-1634 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00365
BindingDB Entry DOI: 10.7270/Q28W3HR8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260136
PNG
(CHEMBL4077459)
Show SMILES Fc1ccc(cc1C(=O)NCCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H28FN3O4/c28-24-3-1-19(13-23(24)27(32)31-12-7-18-5-9-29-10-6-18)22-8-11-30-15-20(22)16-33-21-2-4-25-26(14-21)35-17-34-25/h1-6,9-10,13-14,20,22,30H,7-8,11-12,15-17H2,(H,31,32)/t20-,22-/m0/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260135
PNG
(CHEMBL4076131)
Show SMILES Fc1ccc(cc1C(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H28FN3O4/c28-24-6-4-18(13-23(24)27(32)31-12-8-20-3-1-2-10-30-20)22-9-11-29-15-19(22)16-33-21-5-7-25-26(14-21)35-17-34-25/h1-7,10,13-14,19,22,29H,8-9,11-12,15-17H2,(H,31,32)/t19-,22-/m0/s1
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n/an/a 3.28E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566212
PNG
(CHEMBL4780266)
Show SMILES C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CBr)c3C)c2c1 |r|
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566206
PNG
(CHEMBL4786599)
Show SMILES C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260150
PNG
(CHEMBL4084465)
Show SMILES Fc1ccc(cc1CC(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H30FN3O4/c29-25-6-4-19(13-20(25)14-28(33)32-12-8-22-3-1-2-10-31-22)24-9-11-30-16-21(24)17-34-23-5-7-26-27(15-23)36-18-35-26/h1-7,10,13,15,21,24,30H,8-9,11-12,14,16-18H2,(H,32,33)/t21-,24-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260137
PNG
(CHEMBL4062790)
Show SMILES Fc1ccc(cc1CC(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C27H28FN3O4/c28-24-6-4-18(11-19(24)12-27(32)31-15-21-3-1-2-9-30-21)23-8-10-29-14-20(23)16-33-22-5-7-25-26(13-22)35-17-34-25/h1-7,9,11,13,20,23,29H,8,10,12,14-17H2,(H,31,32)/t20-,23-/m0/s1
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n/an/a 6.01E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566202
PNG
(CHEMBL4787507)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C(O)CCl)c3C)c2c1)c1ccccc1 |r|
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566195
PNG
(CHEMBL4796116)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(c3C)[N+]([O-])=O)c2c1)c1ccccc1 |r|
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n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566208
PNG
(CHEMBL4788756)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccn1 |r|
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n/an/a 9.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566205
PNG
(CHEMBL4794078)
Show SMILES C[C@H](Cc1cccc(C)c1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566201
PNG
(CHEMBL4785430)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CBr)c3C)c2c1)c1ccccc1 |r|
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MCE
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260128
PNG
(CHEMBL4071638)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccc1C(F)(F)F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H26F4N2O4/c29-24-7-5-17(11-22(24)27(35)34-14-18-3-1-2-4-23(18)28(30,31)32)21-9-10-33-13-19(21)15-36-20-6-8-25-26(12-20)38-16-37-25/h1-8,11-12,19,21,33H,9-10,13-16H2,(H,34,35)/t19-,21-/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry

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)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50566213
PNG
(CHEMBL4784634)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2ccccc2)c(C)c1NC(=O)CCl
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
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