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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50173306   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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Article
PubMed
n/an/a 84n/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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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US Patent
n/an/a 5.15E+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)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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Article
PubMed
n/an/a 4.00E+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))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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US Patent
n/an/a>1.00E+5n/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)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rhodopsin kinase GRK1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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 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 GRK1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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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)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair