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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'bouley' and Initial = 'ra'   
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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of GRK5 (unknown origin) using porcine brain tubulin as substrate 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of GRK5 (unknown origin) using porcine brain tubulin as substrate 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566199
PNG
(CHEMBL4791260)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccc1 |r|
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of GRK5 (unknown origin) using porcine brain tubulin as substrate 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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n/an/a 8.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566191
PNG
(CHEMBL4782014)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCC#C)c3C)c2c1)c1ccccc1 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566192
PNG
(CHEMBL4781735)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCC=C)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566215
PNG
(CHEMBL4779427)
Show SMILES CC(C)[C@H](Cc1ccccc1)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 human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566193
PNG
(CHEMBL4786185)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCC#C)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566216
PNG
(CHEMBL4786846)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NC2(Cc3ccccc3)COC2)c(C)c1NC(=O)CCl
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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 human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
Rhodopsin kinase GRK1


(Bos taurus)
BDBM50265871
PNG
(3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-4,4-di...)
Show SMILES COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C
Show InChI InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)
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n/an/a 130n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated for 10 mins followed by compound addition and measured after 10 to 15...


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
3D
3D Structure (crystal)
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566209
PNG
(CHEMBL4798127)
Show SMILES C[C@H](Cc1cccc(Cl)c1)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 human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50529465
PNG
(CHEMBL4464632)
Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)
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n/an/a 220n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566199
PNG
(CHEMBL4791260)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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 220n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 0 mins 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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 260n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 30 mins 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 60 mins 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
G protein-coupled receptor kinase 5


(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 |t:1|
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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TBA

Assay Description
Inhibition of human GRK5 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)
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566203
PNG
(CHEMBL4786913)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C(=C\C(C)(C)C)\C#N)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 30 mins 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 60 mins 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566200
PNG
(CHEMBL4793010)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)\C=C\CN(C)C)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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 570n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 using tubulin as substrate measured after 0 mins 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)
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
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50529458
PNG
(CHEMBL4557065)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12
Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)
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n/an/a 700n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK5 C474S mutant 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566198
PNG
(CHEMBL4796861)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NS(=O)(=O)C=C)c3C)c2c1)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566204
PNG
(CHEMBL4791163)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C4CO4)c3C)c2c1)c1ccccc1 |r|
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Assay Description
Inhibition of human GRK5 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
Rhodopsin kinase GRK1


(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 760n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK1 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)
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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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)
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
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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Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566197
PNG
(CHEMBL4782275)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)C=C)c3C)c2c1)c1ccccc1 |r|
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Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Assay Description
Inhibition of human GRK5 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)
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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50529458
PNG
(CHEMBL4557065)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)C#CC)cc2OC)nc2[nH]ccc12
Show InChI InChI=1S/C26H25N7O3/c1-4-7-22(34)29-15-16-10-11-20(21(14-16)36-3)31-26-32-23-18(12-13-28-23)24(33-26)30-19-9-6-5-8-17(19)25(35)27-2/h5-6,8-14H,15H2,1-3H3,(H,27,35)(H,29,34)(H3,28,30,31,32,33)
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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human GRK5 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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566190
PNG
(CHEMBL4789095)
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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TBA

Assay Description
Inhibition of human GRK5 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)
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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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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566194
PNG
(CHEMBL4798092)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCC=C)c3C)c2c1)c1ccccc1 |r|
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK5 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+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
Rhodopsin kinase GRK1


(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+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK1 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)
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|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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
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