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4 similar compounds to monomer 50173319

Compile data set for download or QSAR
Wt: 427.5
BDBM50173335
Wt: 498.5
BDBM50173314
Wt: 540.5
BDBM50173322
Wt: 648.5
BDBM50173326

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50173335,50173314,50173322,50173326   
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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a 400n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173322
PNG
(CHEMBL3809584)
Show SMILES CN(C(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-6-5-7-17(2)23(16)15-32-28(38)22-13-19(8-10-24(22)31)27-26(18(3)34-30(40)35-27)29(39)37(4)21-9-11-25-20(12-21)14-33-36-25/h5-14,27H,15H2,1-4H3,(H,32,38)(H,33,36)(H2,34,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 7.10E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 69n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173322
PNG
(CHEMBL3809584)
Show SMILES CN(C(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-6-5-7-17(2)23(16)15-32-28(38)22-13-19(8-10-24(22)31)27-26(18(3)34-30(40)35-27)29(39)37(4)21-9-11-25-20(12-21)14-33-36-25/h5-14,27H,15H2,1-4H3,(H,32,38)(H,33,36)(H2,34,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a 400n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173322
PNG
(CHEMBL3809584)
Show SMILES CN(C(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-6-5-7-17(2)23(16)15-32-28(38)22-13-19(8-10-24(22)31)27-26(18(3)34-30(40)35-27)29(39)37(4)21-9-11-25-20(12-21)14-33-36-25/h5-14,27H,15H2,1-4H3,(H,32,38)(H,33,36)(H2,34,35,40)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Voltage-gated sodium channel Nav1.5 cardiac isoform


(Canis lupus familiaris)
BDBM50173335
PNG
(CHEBI:87690 | CVT-303 | RANOLAZINE | RS-43285-003 ...)
Show SMILES COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
Show InChI InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of canine ventricular myocytes Nav 1.5 assessed as reduction in ATX-2 induced late channel current by manual single-patch clamp assay


Bioorg Med Chem Lett 26: 3202-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.101
BindingDB Entry DOI: 10.7270/Q21R6SDP
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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US Patent
n/an/a 7.10E+4n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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US Patent
n/an/a 690n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 4.70E+3n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 69n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a>1.00E+5n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a>1.00E+5n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...


US Patent US10023564 (2018)

More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair