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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 1'   
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
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)

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)

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)

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
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)

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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260138
PNG
(CHEMBL4075475)
Show SMILES Fc1ccc(cc1C(=O)NCc1ncc[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
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



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)

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
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



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)

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
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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n/an/a 770n/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)

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
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



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)

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
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



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)

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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

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
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



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)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191320
PNG
(CHEMBL3945401)
Show SMILES OS(=O)(=O)O[C@H]1[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t1-,2-,3-,4+,5-,6-
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n/an/a 1.35E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in rhodopsin phosphorylation by SDS-PAGE analysis


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260144
PNG
(CHEMBL4081802)
Show SMILES Fc1ccc(cc1C(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-17(9-21(22)25(31)28-8-5-16-11-29-30-12-16)20-6-7-27-13-18(20)14-32-19-2-4-23-24(10-19)34-15-33-23/h1-4,9-12,18,20,27H,5-8,13-15H2,(H,28,31)(H,29,30)/t18-,20-/m0/s1
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n/an/a 1.67E+4n/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)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260131
PNG
(CHEMBL4101136)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C28H29FN2O5/c1-33-25-5-3-2-4-19(25)15-31-28(32)23-12-18(6-8-24(23)29)22-10-11-30-14-20(22)16-34-21-7-9-26-27(13-21)36-17-35-26/h2-9,12-13,20,22,30H,10-11,14-17H2,1H3,(H,31,32)/t20-,22-/m0/s1
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n/an/a 3.77E+4n/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)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191324
PNG
(CHEMBL3910956)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C101H159N25O30/c1-15-50(7)77(122-83(138)53(10)109-93(148)75(105)54(11)128)95(150)110-52(9)82(137)111-62(30-23-24-40-102)84(139)116-67(43-58-26-19-17-20-27-58)89(144)114-65(37-39-74(135)136)86(141)112-63(31-25-41-108-101(106)107)85(140)115-66(42-48(3)4)88(143)113-64(36-38-72(103)133)87(142)124-81(57(14)131)99(154)121-76(49(5)6)94(149)125-79(55(12)129)97(152)119-70(46-73(104)134)91(146)117-68(45-60-32-34-61(132)35-33-60)90(145)118-69(44-59-28-21-18-22-29-59)92(147)123-78(51(8)16-2)96(151)126-80(56(13)130)98(153)120-71(47-127)100(155)156/h17-22,26-29,32-35,48-57,62-71,75-81,127-132H,15-16,23-25,30-31,36-47,102,105H2,1-14H3,(H2,103,133)(H2,104,134)(H,109,148)(H,110,150)(H,111,137)(H,112,141)(H,113,143)(H,114,144)(H,115,140)(H,116,139)(H,117,146)(H,118,145)(H,119,152)(H,120,153)(H,121,154)(H,122,138)(H,123,147)(H,124,142)(H,125,149)(H,126,151)(H,135,136)(H,155,156)(H4,106,107,108)/t50-,51-,52-,53-,54+,55+,56+,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-,76-,77-,78-,79-,80-,81-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191322
PNG
(CHEMBL3928291)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C84H129N21O23/c1-11-44(6)66(103-69(113)45(7)86)80(124)92-46(8)70(114)93-53(25-18-19-35-85)71(115)98-58(38-49-21-14-12-15-22-49)76(120)96-56(32-34-64(111)112)73(117)94-54(26-20-36-91-84(89)90)72(116)97-57(37-42(2)3)75(119)95-55(31-33-62(87)109)74(118)104-68(48(10)107)82(126)102-65(43(4)5)79(123)105-67(47(9)106)81(125)100-60(41-63(88)110)78(122)99-59(39-51-27-29-52(108)30-28-51)77(121)101-61(83(127)128)40-50-23-16-13-17-24-50/h12-17,21-24,27-30,42-48,53-61,65-68,106-108H,11,18-20,25-26,31-41,85-86H2,1-10H3,(H2,87,109)(H2,88,110)(H,92,124)(H,93,114)(H,94,117)(H,95,119)(H,96,120)(H,97,116)(H,98,115)(H,99,122)(H,100,125)(H,101,121)(H,102,126)(H,103,113)(H,104,118)(H,105,123)(H,111,112)(H,127,128)(H4,89,90,91)/t44-,45-,46-,47+,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191315
PNG
(CHEMBL3900347)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C57H95N17O18/c1-27(2)24-37(51(86)67-35(18-20-40(60)77)50(85)73-45(31(7)76)55(90)72-43(28(3)4)53(88)74-44(30(6)75)54(89)71-39(56(91)92)26-41(61)78)69-48(83)34(17-13-23-64-57(62)63)66-49(84)36(19-21-42(79)80)68-52(87)38(25-32-14-9-8-10-15-32)70-47(82)33(16-11-12-22-58)65-46(81)29(5)59/h8-10,14-15,27-31,33-39,43-45,75-76H,11-13,16-26,58-59H2,1-7H3,(H2,60,77)(H2,61,78)(H,65,81)(H,66,84)(H,67,86)(H,68,87)(H,69,83)(H,70,82)(H,71,89)(H,72,90)(H,73,85)(H,74,88)(H,79,80)(H,91,92)(H4,62,63,64)/t29-,30+,31+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191309
PNG
(CHEMBL3919384)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C41H68N12O12/c1-22(2)20-29(38(62)49-27(14-16-31(44)55)37(61)53-33(23(3)54)40(64)65)52-35(59)26(13-9-19-47-41(45)46)48-36(60)28(15-17-32(56)57)50-39(63)30(21-24-10-5-4-6-11-24)51-34(58)25(43)12-7-8-18-42/h4-6,10-11,22-23,25-30,33,54H,7-9,12-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,62)(H,50,63)(H,51,58)(H,52,59)(H,53,61)(H,56,57)(H,64,65)(H4,45,46,47)/t23-,25+,26+,27+,28+,29+,30+,33+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191323
PNG
(CHEMBL3959608)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in rhodopsin phosphorylation by SDS-PAGE analysis


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair