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17 similar compounds to monomer 50173311

Compile data set for download or QSAR
Wt: 421.5
BDBM50129192
Wt: 332.3
BDBM50173331
Wt: 528.5
BDBM50173312
Wt: 463.4
BDBM50173313
Wt: 634.5
BDBM50173318
Wt: 365.3
BDBM50173320
Wt: 503.4
BDBM50173321
Wt: 534.4
BDBM50173323
Wt: 572.5
BDBM50173324
Wt: 528.5
BDBM50173325
Wt: 540.5
BDBM50173327
Wt: 634.5
BDBM50173330
Wt: 295.2
BDBM50173302
Wt: 390.3
BDBM50173304
Wt: 513.5
BDBM50173305
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 77 hits for monomerid = 50129192,50173331,50173312,50173313,50173318,50173320,50173321,50173323,50173324,50173325,50173327,50173330,50173302,50173304,50173305   
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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50173302
PNG
(CHEMBL3809055)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2n[nH]c(=O)n2c1
Show InChI InChI=1S/C13H8F3N3O2/c14-13(15,16)21-10-4-1-8(2-5-10)9-3-6-11-17-18-12(20)19(11)7-9/h1-7H,(H,18,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 0.1 Hz stimulated human Nav1.5alpha expressed in HEK293 cells assessed as inhibition of late sodium current with 3 compound additions f...


Bioorg Med Chem Lett 26: 3207-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.096
BindingDB Entry DOI: 10.7270/Q2PG1TNG
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50173304
PNG
(CHEMBL3808881)
Show SMILES Cc1cc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)on1
Show InChI InChI=1S/C18H13F3N4O3/c1-11-8-15(28-23-11)10-25-17(26)24-9-13(4-7-16(24)22-25)12-2-5-14(6-3-12)27-18(19,20)21/h2-9H,10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of 0.1 Hz stimulated human Nav1.5alpha expressed in HEK293 cells assessed as inhibition of late sodium current with 3 compound additions f...


Bioorg Med Chem Lett 26: 3207-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.096
BindingDB Entry DOI: 10.7270/Q2PG1TNG
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173318
PNG
(CHEMBL3809788 | US10023564, Example 17)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 2.20E+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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173324
PNG
(CHEMBL3809124 | US10023564, Example 30)
Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 5.00E+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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 8.80E+4n/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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173330
PNG
(CHEMBL3808657 | US10023564, Example 13)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-19-3-5-22-16(8-19)12-38-42-22)24(41-27(45)39-13)15-2-4-21(30)20(9-15)25(43)37-11-14-6-17(28(31,32)33)10-18(7-14)29(34,35)36/h2-10,12,24H,11H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 23n/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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173321
PNG
(CHEMBL3810383)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C26H22FN5O5/c1-14-22(25(34)31-16-6-8-20-21(11-16)37-13-36-20)23(32-26(35)30-14)15-5-7-19(27)18(10-15)24(33)29-12-17-4-2-3-9-28-17/h2-11,23H,12-13H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35)
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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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 2.30E+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))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 97n/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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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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))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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))
BDBM50173318
PNG
(CHEMBL3809788 | US10023564, Example 17)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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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))
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 9.00E+3n/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))
BDBM50173330
PNG
(CHEMBL3808657 | US10023564, Example 13)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-19-3-5-22-16(8-19)12-38-42-22)24(41-27(45)39-13)15-2-4-21(30)20(9-15)25(43)37-11-14-6-17(28(31,32)33)10-18(7-14)29(34,35)36/h2-10,12,24H,11H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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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))
BDBM50173324
PNG
(CHEMBL3809124 | US10023564, Example 30)
Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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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))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 1.60E+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
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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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))
BDBM50173321
PNG
(CHEMBL3810383)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C26H22FN5O5/c1-14-22(25(34)31-16-6-8-20-21(11-16)37-13-36-20)23(32-26(35)30-14)15-5-7-19(27)18(10-15)24(33)29-12-17-4-2-3-9-28-17/h2-11,23H,12-13H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35)
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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))
BDBM50173330
PNG
(CHEMBL3808657 | US10023564, Example 13)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-19-3-5-22-16(8-19)12-38-42-22)24(41-27(45)39-13)15-2-4-21(30)20(9-15)25(43)37-11-14-6-17(28(31,32)33)10-18(7-14)29(34,35)36/h2-10,12,24H,11H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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n/an/a 1.90E+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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 57n/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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 110n/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))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 450n/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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 6.20E+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))
BDBM50173324
PNG
(CHEMBL3809124 | US10023564, Example 30)
Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 200n/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))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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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))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 100n/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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 3.80E+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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50173331
PNG
(CHEMBL3809531)
Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1
Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50173331
PNG
(CHEMBL3809531)
Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1
Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)
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n/an/a 89n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50173331
PNG
(CHEMBL3809531)
Show SMILES COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1
Show InChI InChI=1S/C18H16N6O/c1-24-11-13(10-21-24)16-17-12(7-8-19-16)9-20-18(23-17)22-14-3-5-15(25-2)6-4-14/h3-11H,1-2H3,(H,20,22,23)
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n/an/a 140n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...


J Med Chem 59: 3671-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01811
BindingDB Entry DOI: 10.7270/Q2DZ0B6T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50129192
PNG
(CHEMBL431523 | N-(4-Amino-butyl)-3-(1H-indol-3-yl)...)
Show SMILES NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 4 receptor (mMC4R) stably expressed in HEL cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00318-4
BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50129192
PNG
(CHEMBL431523 | N-(4-Amino-butyl)-3-(1H-indol-3-yl)...)
Show SMILES NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse Melanocortin 3 receptor (mMC3R) stably expressed in HEK cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00318-4
BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50129192
PNG
(CHEMBL431523 | N-(4-Amino-butyl)-3-(1H-indol-3-yl)...)
Show SMILES NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 5 receptor (mMC5R) stably expressed in HEL cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00318-4
BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50129192
PNG
(CHEMBL431523 | N-(4-Amino-butyl)-3-(1H-indol-3-yl)...)
Show SMILES NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H31N5O2/c25-13-6-7-14-26-23(30)22(16-19-17-28-21-11-5-4-10-20(19)21)29-24(31)27-15-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,28H,6-7,12-16,25H2,(H,26,30)(H2,27,29,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 1 receptor (mMC1R) stably expressed in HEK cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


Article DOI: 10.1016/s0960-894x(03)00318-4
BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Bos taurus)
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis


J Med Chem 59: 9277-9294 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01939
BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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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))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 770n/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))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 78n/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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 120n/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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 5.00E+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))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 61n/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))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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
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