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Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-adrenergic receptor


(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
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 42n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK2-mediated bovine tubulin phosphorylation by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-adrenergic receptor kinase 2


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50441685
PNG
(CHEMBL2435840)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(O)=O
Show InChI InChI=1S/C41H74N16O10/c1-7-23(6)32(39(66)67)57-38(65)30(19-58)56-37(64)29(16-24-18-47-20-50-24)55-34(61)26(11-9-13-49-41(45)46)52-33(60)25(10-8-12-48-40(43)44)53-36(63)28(15-22(4)5)54-35(62)27(14-21(2)3)51-31(59)17-42/h18,20-23,25-30,32,58H,7-17,19,42H2,1-6H3,(H,47,50)(H,51,59)(H,52,60)(H,53,63)(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,66,67)(H4,43,44,48)(H4,45,46,49)/t23-,25-,26+,27-,28-,29-,30-,32-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Federico II" University of Naples

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin)-mediated phosphorylation of rhodopsin in bovine-rod outer segment membranes incubated under white light conditio...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444090
PNG
(CHEMBL3093151)
Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)
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n/an/a 460n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50134187
PNG
(CHEMBL3735506)
Show SMILES COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1
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n/an/a 530n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GRK2 by LANCE assay


J Med Chem 58: 8920-37 (2015)

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


(Homo sapiens (Human))
BDBM50444108
PNG
(CHEMBL3093243)
Show SMILES COc1ccc(cc1)N(C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C34H32N8O3/c1-44-28-10-8-27(9-11-28)42(26-5-3-2-4-6-26)34(43)39-24-7-12-30-31(18-24)45-33(40-30)29-17-22(19-37-32(29)35)23-20-38-41(21-23)25-13-15-36-16-14-25/h2-12,17-21,25,36H,13-16H2,1H3,(H2,35,37)(H,39,43)
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n/an/a 660n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444137
PNG
(CHEMBL3093258)
Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCCC1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H29N7O/c26-24-21(12-17(14-28-24)18-15-29-32(16-18)19-6-8-27-9-7-19)25-30-22-13-20(4-5-23(22)33-25)31-10-2-1-3-11-31/h4-5,12-16,19,27H,1-3,6-11H2,(H2,26,28)
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n/an/a 850n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444104
PNG
(CHEMBL3093247)
Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H24FN7O2/c28-19-3-1-16(2-4-19)26(36)33-20-5-6-23-24(12-20)37-27(34-23)22-11-17(13-31-25(22)29)18-14-32-35(15-18)21-7-9-30-10-8-21/h1-6,11-15,21,30H,7-10H2,(H2,29,31)(H,33,36)
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n/an/a 960n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444135
PNG
(CHEMBL3093260)
Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-12-19(3-4-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444107
PNG
(CHEMBL3093244)
Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H25FN8O2/c28-18-1-3-19(4-2-18)33-27(37)34-20-5-6-23-24(12-20)38-26(35-23)22-11-16(13-31-25(22)29)17-14-32-36(15-17)21-7-9-30-10-8-21/h1-6,11-15,21,30H,7-10H2,(H2,29,31)(H2,33,34,37)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384025
PNG
(CHEMBL2032279 | CHEMBL2079395)
Show SMILES Cc1cc2nc(oc2cc1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-6-17-19(8-18(12)28)29-21(26-17)16-7-13(9-24-20(16)22)14-10-25-27(11-14)15-2-4-23-5-3-15/h6-11,15,23,28H,2-5H2,1H3,(H2,22,24)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444121
PNG
(CHEMBL3093155)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Nc3cc(F)cc(F)c3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H23F2N7O/c27-17-8-18(28)10-20(9-17)33-19-1-2-23-24(11-19)36-26(34-23)22-7-15(12-31-25(22)29)16-13-32-35(14-16)21-3-5-30-6-4-21/h1-2,7-14,21,30,33H,3-6H2,(H2,29,31)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384018
PNG
(CHEMBL2032286)
Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)Nc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H26N8O2/c28-25-22(12-17(14-30-25)18-15-31-35(16-18)21-8-10-29-11-9-21)26-34-23-7-6-20(13-24(23)37-26)33-27(36)32-19-4-2-1-3-5-19/h1-7,12-16,21,29H,8-11H2,(H2,28,30)(H2,32,33,36)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444101
PNG
(CHEMBL3093250)
Show SMILES COc1ccc(cc1)-c1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H26N6O2/c1-34-22-5-2-17(3-6-22)18-4-7-24-25(13-18)35-27(32-24)23-12-19(14-30-26(23)28)20-15-31-33(16-20)21-8-10-29-11-9-21/h2-7,12-16,21,29H,8-11H2,1H3,(H2,28,30)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384034
PNG
(CHEMBL2032159 | CHEMBL2032299)
Show SMILES CC(=O)Nc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H23N7O2/c1-13(30)27-16-2-3-20-19(9-16)28-22(31-20)18-8-14(10-25-21(18)23)15-11-26-29(12-15)17-4-6-24-7-5-17/h2-3,8-12,17,24H,4-7H2,1H3,(H2,23,25)(H,27,30)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444128
PNG
(CHEMBL3093147)
Show SMILES CCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H27N7O/c1-2-7-26-17-3-4-21-20(11-17)29-23(31-21)19-10-15(12-27-22(19)24)16-13-28-30(14-16)18-5-8-25-9-6-18/h3-4,10-14,18,25-26H,2,5-9H2,1H3,(H2,24,27)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444106
PNG
(CHEMBL3093245)
Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H25N7O2/c28-25-22(12-18(14-30-25)19-15-31-34(16-19)21-8-10-29-11-9-21)27-33-23-7-6-20(13-24(23)36-27)32-26(35)17-4-2-1-3-5-17/h1-7,12-16,21,29H,8-11H2,(H2,28,30)(H,32,35)
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n/an/a 3.19E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444105
PNG
(CHEMBL3093246)
Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C28H24F3N7O2/c29-28(30,31)19-3-1-16(2-4-19)26(39)36-20-5-6-23-24(12-20)40-27(37-23)22-11-17(13-34-25(22)32)18-14-35-38(15-18)21-7-9-33-10-8-21/h1-6,11-15,21,33H,7-10H2,(H2,32,34)(H,36,39)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444111
PNG
(CHEMBL3093164)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Oc3ccc(nn3)-c3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C30H26N8O2/c31-29-24(14-20(16-33-29)21-17-34-38(18-21)22-10-12-32-13-11-22)30-35-26-7-6-23(15-27(26)40-30)39-28-9-8-25(36-37-28)19-4-2-1-3-5-19/h1-9,14-18,22,32H,10-13H2,(H2,31,33)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444103
PNG
(CHEMBL3093248)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C28H27N7O3/c1-37-22-5-2-17(3-6-22)27(36)33-20-4-7-24-25(13-20)38-28(34-24)23-12-18(14-31-26(23)29)19-15-32-35(16-19)21-8-10-30-11-9-21/h2-7,12-16,21,30H,8-11H2,1H3,(H2,29,31)(H,33,36)
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n/an/a 3.97E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444116
PNG
(CHEMBL3093159)
Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)-c1ccc2[nH]ncc2c1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H24N8O/c28-26-22(10-18(12-30-26)20-14-32-35(15-20)21-5-7-29-8-6-21)27-33-24-4-2-17(11-25(24)36-27)16-1-3-23-19(9-16)13-31-34-23/h1-4,9-15,21,29H,5-8H2,(H2,28,30)(H,31,34)
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n/an/a 4.05E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384020
PNG
(CHEMBL2032284 | CHEMBL2079522)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H21N7O/c21-14-1-2-18-17(8-14)26-20(28-18)16-7-12(9-24-19(16)22)13-10-25-27(11-13)15-3-5-23-6-4-15/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444132
PNG
(CHEMBL3093144)
Show SMILES Nc1ncc(cc1-c1nc2cc(Nc3ccccc3)ccc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H25N7O/c27-25-22(12-17(14-29-25)18-15-30-33(16-18)21-8-10-28-11-9-21)26-32-23-13-20(6-7-24(23)34-26)31-19-4-2-1-3-5-19/h1-7,12-16,21,28,31H,8-11H2,(H2,27,29)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444125
PNG
(CHEMBL3093150)
Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCOCC1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H27N7O2/c25-23-20(11-16(13-27-23)17-14-28-31(15-17)18-3-5-26-6-4-18)24-29-21-2-1-19(12-22(21)33-24)30-7-9-32-10-8-30/h1-2,11-15,18,26H,3-10H2,(H2,25,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444130
PNG
(CHEMBL3093145)
Show SMILES CCCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H29N7O/c1-2-3-8-27-18-4-5-22-21(12-18)30-24(32-22)20-11-16(13-28-23(20)25)17-14-29-31(15-17)19-6-9-26-10-7-19/h4-5,11-15,19,26-27H,2-3,6-10H2,1H3,(H2,25,28)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444123
PNG
(CHEMBL3093153)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C28H23F6N7O/c29-27(30,31)17-8-18(28(32,33)34)10-20(9-17)39-19-1-2-23-24(11-19)42-26(40-23)22-7-15(12-37-25(22)35)16-13-38-41(14-16)21-3-5-36-6-4-21/h1-2,7-14,21,36,39H,3-6H2,(H2,35,37)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444109
PNG
(CHEMBL3093242)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Nc3ccccn3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H24N8O/c26-24-20(11-16(13-29-24)17-14-30-33(15-17)19-6-9-27-10-7-19)25-32-21-5-4-18(12-22(21)34-25)31-23-3-1-2-8-28-23/h1-5,8,11-15,19,27H,6-7,9-10H2,(H2,26,29)(H,28,31)
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n/an/a 6.05E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384019
PNG
(CHEMBL2032285 | CHEMBL2079397)
Show SMILES Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H21N7O/c21-14-1-2-17-18(8-14)28-20(26-17)16-7-12(9-24-19(16)22)13-10-25-27(11-13)15-3-5-23-6-4-15/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384035
PNG
(CHEMBL2032158 | CHEMBL2078645)
Show SMILES CNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H23N7O/c1-23-15-2-3-19-18(9-15)27-21(29-19)17-8-13(10-25-20(17)22)14-11-26-28(12-14)16-4-6-24-7-5-16/h2-3,8-12,16,23-24H,4-7H2,1H3,(H2,22,25)
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n/an/a 6.32E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444136
PNG
(CHEMBL3093259)
Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCOCC1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H27N7O2/c25-23-20(11-16(13-27-23)17-14-28-31(15-17)18-3-5-26-6-4-18)24-29-21-12-19(1-2-22(21)33-24)30-7-9-32-10-8-30/h1-2,11-15,18,26H,3-10H2,(H2,25,27)
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n/an/a 6.43E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444097
PNG
(CHEMBL3093254)
Show SMILES Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccc4cn[nH]c4c3)c2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H24N8O2/c28-26-20(9-17(11-30-26)18-13-32-35(14-18)19-5-7-29-8-6-19)27-33-21-3-4-23(36)24(25(21)37-27)15-1-2-16-12-31-34-22(16)10-15/h1-4,9-14,19,29,36H,5-8H2,(H2,28,30)(H,31,34)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444112
PNG
(CHEMBL3093163)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Oc3cc(ccn3)C#N)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H22N8O2/c27-12-16-3-8-30-24(9-16)35-20-1-2-22-23(11-20)36-26(33-22)21-10-17(13-31-25(21)28)18-14-32-34(15-18)19-4-6-29-7-5-19/h1-3,8-11,13-15,19,29H,4-7H2,(H2,28,31)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444129
PNG
(CHEMBL3093146)
Show SMILES CN(C)c1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H25N7O/c1-28(2)17-3-4-20-19(10-17)27-22(30-20)18-9-14(11-25-21(18)23)15-12-26-29(13-15)16-5-7-24-8-6-16/h3-4,9-13,16,24H,5-8H2,1-2H3,(H2,23,25)
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n/an/a 8.27E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384014
PNG
(CHEMBL2032290)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C28H28N8O4S/c1-17-2-5-22(6-3-17)41(38,39)35-28(37)33-20-4-7-24-25(13-20)40-27(34-24)23-12-18(14-31-26(23)29)19-15-32-36(16-19)21-8-10-30-11-9-21/h2-7,12-16,21,30H,8-11H2,1H3,(H2,29,31)(H2,33,35,37)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444091
PNG
(CHEMBL3093257)
Show SMILES COc1ccc2nc(oc2c1-c1ccc2cn[nH]c2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C28H26N8O2/c1-37-24-5-4-22-26(25(24)16-2-3-17-13-32-35-23(17)11-16)38-28(34-22)21-10-18(12-31-27(21)29)19-14-33-36(15-19)20-6-8-30-9-7-20/h2-5,10-15,20,30H,6-9H2,1H3,(H2,29,31)(H,32,35)
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n/an/a 9.16E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384015
PNG
(CHEMBL2032289)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Nc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H24FN7O/c27-18-1-3-19(4-2-18)32-20-5-6-23-24(12-20)35-26(33-23)22-11-16(13-30-25(22)28)17-14-31-34(15-17)21-7-9-29-10-8-21/h1-6,11-15,21,29,32H,7-10H2,(H2,28,30)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50384021
PNG
(CHEMBL2032283 | CHEMBL2079205)
Show SMILES Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccccc3)c2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H24N6O2/c27-25-20(12-17(13-29-25)18-14-30-32(15-18)19-8-10-28-11-9-19)26-31-21-6-7-22(33)23(24(21)34-26)16-4-2-1-3-5-16/h1-7,12-15,19,28,33H,8-11H2,(H2,27,29)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444127
PNG
(CHEMBL3093148)
Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H24N6O/c27-25-22(12-19(14-29-25)20-15-30-32(16-20)21-8-10-28-11-9-21)26-31-23-13-18(6-7-24(23)33-26)17-4-2-1-3-5-17/h1-7,12-16,21,28H,8-11H2,(H2,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor kinase 2


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
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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 GRK2 using casein as substrate


Bioorg Med Chem 24: 521-44 (2016)

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


(Homo sapiens (Human))
BDBM50444124
PNG
(CHEMBL3093152)
Show SMILES CC(C)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H27N7O/c1-14(2)28-17-3-4-20-21(10-17)31-23(29-20)19-9-15(11-26-22(19)24)16-12-27-30(13-16)18-5-7-25-8-6-18/h3-4,9-14,18,25,28H,5-8H2,1-2H3,(H2,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444119
PNG
(CHEMBL3093156)
Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)-c1cn[nH]c1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H22N8O/c24-22-19(23-30-20-2-1-14(8-21(20)32-23)16-10-27-28-11-16)7-15(9-26-22)17-12-29-31(13-17)18-3-5-25-6-4-18/h1-2,7-13,18,25H,3-6H2,(H2,24,26)(H,27,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444118
PNG
(CHEMBL3093157)
Show SMILES Nc1ncc(cc1-c1nc2ccc(OCc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H26N6O2/c28-26-23(12-19(14-30-26)20-15-31-33(16-20)21-8-10-29-11-9-21)27-32-24-7-6-22(13-25(24)35-27)34-17-18-4-2-1-3-5-18/h1-7,12-16,21,29H,8-11,17H2,(H2,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444117
PNG
(CHEMBL3093158)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Oc3ccccc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H24N6O2/c27-25-22(12-17(14-29-25)18-15-30-32(16-18)19-8-10-28-11-9-19)26-31-23-7-6-21(13-24(23)34-26)33-20-4-2-1-3-5-20/h1-7,12-16,19,28H,8-11H2,(H2,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444114
PNG
(CHEMBL3093161)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Oc3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C26H23FN6O2/c27-18-1-3-20(4-2-18)34-21-5-6-23-24(12-21)35-26(32-23)22-11-16(13-30-25(22)28)17-14-31-33(15-17)19-7-9-29-10-8-19/h1-6,11-15,19,29H,7-10H2,(H2,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Homo sapiens)
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
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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)

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


(Homo sapiens (Human))
BDBM50384030
PNG
(CHEMBL2032272 | CHEMBL2079392)
Show SMILES Nc1ncc(cc1-c1nc2ccc(Oc3ncccn3)cc2o1)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H22N8O2/c25-22-19(10-15(12-29-22)16-13-30-32(14-16)17-4-8-26-9-5-17)23-31-20-3-2-18(11-21(20)34-23)33-24-27-6-1-7-28-24/h1-3,6-7,10-14,17,26H,4-5,8-9H2,(H2,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444102
PNG
(CHEMBL3093249)
Show SMILES CS(=O)(=O)Oc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O4S/c1-32(28,29)31-16-2-3-18-19(9-16)30-21(26-18)17-8-13(10-24-20(17)22)14-11-25-27(12-14)15-4-6-23-7-5-15/h2-3,8-12,15,23H,4-7H2,1H3,(H2,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444100
PNG
(CHEMBL3093251)
Show SMILES CC(C)NC(=O)c1cc2nc(oc2cc1O)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H27N7O3/c1-13(2)29-23(33)17-8-19-21(9-20(17)32)34-24(30-19)18-7-14(10-27-22(18)25)15-11-28-31(12-15)16-3-5-26-6-4-16/h7-13,16,26,32H,3-6H2,1-2H3,(H2,25,27)(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444099
PNG
(CHEMBL3093252)
Show SMILES CN(C)COc1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(-c3ccccn3)c2o1
Show InChI InChI=1S/C26H23N5O2/c1-31(2)16-32-19-8-5-7-17(13-19)18-14-21(25(27)29-15-18)26-30-23-11-6-9-20(24(23)33-26)22-10-3-4-12-28-22/h3-15H,16H2,1-2H3,(H2,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Homo sapiens (Human))
BDBM50444098
PNG
(CHEMBL3093253)
Show SMILES Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cccc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C30H28N6O3/c31-28-24(30-35-26-9-4-7-23(27(26)39-30)25-8-1-2-10-32-25)18-22(19-34-28)20-5-3-6-21(17-20)29(37)33-11-12-36-13-15-38-16-14-36/h1-10,17-19H,11-16H2,(H2,31,34)(H,33,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...


Citation and Details
More data for this
Ligand-Target Pair
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