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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'avramova' and Initial = 'lv'   
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
Lethal factor


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
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1.70E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50215899
PNG
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
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3.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM50215901
PNG
(CHEMBL251734 | N-hydroxy-4-(2-oleamidoethyl)benzam...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C27H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-24-18-20-25(21-19-24)27(31)29-32/h9-10,18-21,32H,2-8,11-17,22-23H2,1H3,(H,28,30)(H,29,31)/b10-9-
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6.00E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
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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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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n/an/a 91n/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))
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
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))
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))
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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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))
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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n/an/a 360n/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))
BDBM50566208
PNG
(CHEMBL4788756)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccccn1 |r|
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n/an/a 450n/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)
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))
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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n/an/a 740n/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
Beta-adrenergic receptor kinase 1


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


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 780n/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))
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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n/an/a 810n/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))
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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n/an/a 830n/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)
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))
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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n/an/a 1.30E+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)
BDBM50566207
PNG
(CHEMBL4777196)
Show SMILES C[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1)c1ccncc1 |r|
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
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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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)
BDBM50566210
PNG
(CHEMBL4796154)
Show SMILES C[C@H](Cc1ccc(C)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CCl)c3C)c2c1 |r|
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566196
PNG
(CHEMBL4783464)
Show SMILES CC#CC(=O)Nc1c(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 2.50E+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)
BDBM50566212
PNG
(CHEMBL4780266)
Show SMILES C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(NC(=O)CBr)c3C)c2c1 |r|
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01522
BindingDB Entry DOI: 10.7270/Q2S75M3V
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50566214
PNG
(CHEMBL4794588)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(=O)NC(C)(C)Cc2ccccc2)c(C)c1NC(=O)CCl
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n/an/a 1.20E+4n/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)
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 1.20E+4n/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Bacillus anthracis)
BDBM50215900
PNG
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of anthrax lethal factor by FRET assay


Bioorg Med Chem Lett 17: 4575-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


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


TBA

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


Citation and Details

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