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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'bouley' and Initial = 'r'   
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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n/an/a 15n/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))
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 15n/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))
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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n/an/a 29n/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))
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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n/an/a 95n/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))
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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM283997
PNG
(E23 | US10023564, Example 23)
Show SMILES COC(=O)C1(CCCCC1)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
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n/an/a 160n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM283996
PNG
(E22 | US10023564, Example 22)
Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 |c:23|
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n/an/a 160n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50461305
PNG
(CHEMBL4225917)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N2Cc3ccc(C)cc3C2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C30H27FN6O3/c1-16-3-4-19-14-37(15-22(19)9-16)26(38)12-20-10-18(5-7-24(20)31)28-27(17(2)33-30(40)35-28)29(39)34-23-6-8-25-21(11-23)13-32-36-25/h3-11,13,28H,12,14-15H2,1-2H3,(H,32,36)(H,34,39)(H2,33,35,40)
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University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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))
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))
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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n/an/a 220n/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


(Homo sapiens (Human))
BDBM283998
PNG
(E24 | US10023564, Example 24)
Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 |c:25|
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n/an/a 250n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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))
BDBM283998
PNG
(E24 | US10023564, Example 24)
Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 |c:25|
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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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 270n/an/an/an/an/an/a



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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n/an/a 280n/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
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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n/an/a 280n/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))
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 300n/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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50461327
PNG
(CHEMBL4227081)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cnc2CCCc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C29H26FN7O3/c1-15-25(28(39)35-20-6-8-24-19(10-20)14-33-37-24)26(36-29(40)34-15)18-5-7-22(30)21(11-18)27(38)32-13-16-9-17-3-2-4-23(17)31-12-16/h5-12,14,26H,2-4,13H2,1H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 340n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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 350n/an/an/an/an/an/a



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))
BDBM283996
PNG
(E22 | US10023564, Example 22)
Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 |c:23|
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n/an/a 380n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM284001
PNG
(E27 | US10023564, Example 27)
Show SMILES COc1ccccc1C(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
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n/an/a 400n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50461315
PNG
(CHEMBL4225489)
Show SMILES CCCCN(CC#CC)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:26|
Show InChI InChI=1S/C29H31FN6O3/c1-4-6-12-36(13-7-5-2)25(37)16-20-14-19(8-10-23(20)30)27-26(18(3)32-29(39)34-27)28(38)33-22-9-11-24-21(15-22)17-31-35-24/h8-11,14-15,17,27H,4,6,12-13,16H2,1-3H3,(H,31,35)(H,33,38)(H2,32,34,39)
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University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM284006
PNG
(E32 | US10023564, Example 32)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCO)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
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n/an/a 460n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50461319
PNG
(CHEMBL4225645)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NC1CN2CCC1CC2)C(=O)Nc1ccc2[nH]ncc2c1 |t:1,(60.21,-53.31,;60.21,-51.77,;58.88,-51.01,;58.86,-49.47,;60.2,-48.69,;61.53,-49.47,;62.86,-48.69,;61.52,-51.01,;57.53,-48.7,;56.2,-49.48,;54.86,-48.71,;54.85,-47.17,;53.51,-46.41,;56.19,-46.4,;57.52,-47.16,;56.18,-44.84,;57.52,-44.08,;54.84,-44.08,;54.84,-42.54,;53.5,-41.78,;53.5,-40.23,;54.84,-39.47,;56.17,-40.23,;56.18,-41.77,;54.7,-41.79,;54.99,-40.64,;57.54,-51.77,;57.55,-53.31,;56.2,-51.02,;54.87,-51.78,;54.88,-53.33,;53.54,-54.11,;52.2,-53.33,;50.73,-53.81,;49.83,-52.56,;50.73,-51.31,;52.2,-51.79,;53.53,-51.03,)|
Show InChI InChI=1S/C27H28FN7O3/c1-14-23(26(37)31-18-3-5-21-17(10-18)12-29-34-21)24(33-27(38)30-14)16-2-4-20(28)19(11-16)25(36)32-22-13-35-8-6-15(22)7-9-35/h2-5,10-12,15,22,24H,6-9,13H2,1H3,(H,29,34)(H,31,37)(H,32,36)(H2,30,33,38)
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n/an/a 500n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50461321
PNG
(CHEMBL4227138)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cn2ccccc2n1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C28H23FN8O3/c1-15-24(27(39)34-18-6-8-22-17(10-18)12-31-36-22)25(35-28(40)32-15)16-5-7-21(29)20(11-16)26(38)30-13-19-14-37-9-3-2-4-23(37)33-19/h2-12,14,25H,13H2,1H3,(H,30,38)(H,31,36)(H,34,39)(H2,32,35,40)
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n/an/a 540n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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


(Homo sapiens (Human))
BDBM50461320
PNG
(CHEMBL4227666)
Show SMILES Cc1noc(C)c1CCNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
Show InChI InChI=1S/C27H26FN7O4/c1-13-19(15(3)39-35-13)8-9-29-25(36)20-11-16(4-6-21(20)28)24-23(14(2)31-27(38)33-24)26(37)32-18-5-7-22-17(10-18)12-30-34-22/h4-7,10-12,24H,8-9H2,1-3H3,(H,29,36)(H,30,34)(H,32,37)(H2,31,33,38)
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n/an/a 640n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM284007
PNG
(E33 | US10023564, Example 33)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCC2CCN(CC2)C2CC2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
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n/an/a 680n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2018.03.082
BindingDB Entry DOI: 10.7270/Q22Z1868
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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n/an/a 700n/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))
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 730n/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))
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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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
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