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Compile Data Set for Download or QSAR

Found 24 hits of ic50 data for polymerid = 50004460   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525308
PNG
(US11173144, Compound 72)
Show SMILES COc1ccccc1CC(C)NC[C@H](O)COc1cccc2[nH]nc(C)c12 |r|
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n/an/a 0.00900n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525317
PNG
(US11173144, Compound 90)
Show SMILES COCC(C)(C)NC[C@H](O)COc1cccc2[nH]nc(C)c12 |r|
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n/an/a 0.0190n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525320
PNG
(US11173144, Compound 52)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]nc(C)c12 |r|
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n/an/a 0.0240n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525316
PNG
(US11173144, Compound 69)
Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNCCc3ccccc3C(F)(F)F)c12 |r|
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n/an/a 0.0480n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525318
PNG
(US11173144, Compound 75)
Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNC(C)(C)C)c12 |r|
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n/an/a 0.0650n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525322
PNG
(US11173144, Compound 86)
Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNC(C)(C)COc3ccccn3)c12 |r|
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n/an/a 0.144n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525319
PNG
(US11173144, Compound 87)
Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNCCOc3ccccn3)c12 |r|
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n/an/a 0.230n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM525321
PNG
(US11173144, Compound 55)
Show SMILES COc1ccc(OCCNC[C@H](O)COc2cccc3[nH]nc(C)c23)cc1OC |r|
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n/an/a 0.380n/an/an/an/an/an/a


TBA

Assay Description
ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2D50R4Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257340
PNG
(CHEMBL4072828)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
Show InChI InChI=1S/C25H21F3N6O2/c26-25(27,28)20-7-2-1-4-17(20)13-31-24(35)16-5-3-6-18(12-16)30-15-22-32-33-23-19-8-9-29-14-21(19)36-11-10-34(22)23/h1-9,12,14,30H,10-11,13,15H2,(H,31,35)
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n/an/a 0.650n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257328
PNG
(CHEMBL4082775)
Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257365
PNG
(CHEMBL4083276)
Show SMILES CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
Show InChI InChI=1S/C24H24N6O/c1-2-30-22(28-29-23(30)19-11-13-25-14-12-19)17-26-21-10-6-9-20(15-21)24(31)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,31)
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n/an/a 3.30n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257344
PNG
(CHEMBL4065690)
Show SMILES Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1
Show InChI InChI=1S/C24H23N5O/c1-17-22(28-29-23(17)19-10-12-25-13-11-19)16-26-21-9-5-8-20(14-21)24(30)27-15-18-6-3-2-4-7-18/h2-14,26H,15-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 4.30n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
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n/an/a 5.40n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257350
PNG
(CHEMBL1738877)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
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n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI: 10.7270/Q22Z19M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50257351
PNG
(CHEMBL4095595)
Show SMILES CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Show InChI InChI=1S/C16H16N6O/c1-17-16(23)12-3-2-4-13(9-12)19-10-14-20-15(22-21-14)11-5-7-18-8-6-11/h2-9,19H,10H2,1H3,(H,17,23)(H,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK3-mediated bovine tubulin phosphorylation by scintillation counting


J Med Chem 53: 1867-70 (2010)


Article DOI: 10.1021/jm9017515
BindingDB Entry DOI: 10.7270/Q2P26Z8Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 850n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 861n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50566947
PNG
(CHEMBL4847703)
Show SMILES CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00506
BindingDB Entry DOI: 10.7270/Q20K2D97
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50566946
PNG
(CHEMBL4854871)
Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r|
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TBA

Assay Description
Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00506
BindingDB Entry DOI: 10.7270/Q20K2D97
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GRK3 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation co...


J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GRK3 using casein as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50566949
PNG
(CHEMBL4877302)
Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
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TBA

Assay Description
Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00506
BindingDB Entry DOI: 10.7270/Q20K2D97
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens (Human))
BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged GRK3 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair