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8 similar compounds to monomer 168033

Compile data set for download or QSAR
Wt: 493.9
BDBM168015
Wt: 422.8
BDBM168016
Wt: 374.3
BDBM168017
Wt: 402.4
BDBM168018
Wt: 402.4
BDBM168019
Wt: 388.4
BDBM168021
Wt: 416.4
BDBM168022
Wt: 445.5
BDBM168023

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 168015,168016,168017,168018,168019,168021,168022,168023   
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168015
PNG
(US9073926, 49)
Show SMILES Clc1cc(CN2CCOCC2)c2[nH]c(NC(=O)c3ccc4cc5C(=O)NCCCn5c4n3)nc2c1
Show InChI InChI=1S/C24H24ClN7O3/c25-16-10-15(13-31-6-8-35-9-7-31)20-18(12-16)28-24(29-20)30-22(33)17-3-2-14-11-19-23(34)26-4-1-5-32(19)21(14)27-17/h2-3,10-12H,1,4-9,13H2,(H,26,34)(H2,28,29,30,33)
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n/an/a 6.70n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168016
PNG
(US9073926, 50)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(nc3n2C1)C(=O)Nc1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H19ClN6O2/c1-21(2)9-23-19(30)16-7-11-3-5-14(24-17(11)28(16)10-21)18(29)27-20-25-13-6-4-12(22)8-15(13)26-20/h3-8H,9-10H2,1-2H3,(H,23,30)(H2,25,26,27,29)
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n/an/a 55n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168017
PNG
(US9073926, 51)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
Show InChI InChI=1S/C20H18N6O2/c1-25-15-6-3-2-5-13(15)23-20(25)24-18(27)14-8-7-12-11-16-19(28)21-9-4-10-26(16)17(12)22-14/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,28)(H,23,24,27)
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n/an/a 365n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168023
PNG
(US9073926, 57)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
Show InChI InChI=1S/C24H27N7O2/c1-29(2)12-6-14-31-19-8-4-3-7-17(19)27-24(31)28-22(32)18-10-9-16-15-20-23(33)25-11-5-13-30(20)21(16)26-18/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,25,33)(H,27,28,32)
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n/an/a 245n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168019
PNG
(US9073926, 53)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
Show InChI InChI=1S/C22H22N6O2/c1-13(2)28-17-7-4-3-6-15(17)25-22(28)26-20(29)16-9-8-14-12-18-21(30)23-10-5-11-27(18)19(14)24-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,23,30)(H,25,26,29)
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n/an/a 630n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168021
PNG
(US9073926, 55)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3n2)nc2ccccc12
Show InChI InChI=1S/C21H20N6O2/c1-2-26-16-7-4-3-6-14(16)24-21(26)25-19(28)15-9-8-13-12-17-20(29)22-10-5-11-27(17)18(13)23-15/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,22,29)(H,24,25,28)
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n/an/a 140n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168022
PNG
(US9073926, 56)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
Show InChI InChI=1S/C23H24N6O2/c1-4-28-17-8-6-5-7-15(17)26-22(28)27-20(30)16-10-9-14-11-18-21(31)24-12-23(2,3)13-29(18)19(14)25-16/h5-11H,4,12-13H2,1-3H3,(H,24,31)(H,26,27,30)
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n/an/a 195n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168018
PNG
(US9073926, 52)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)Cn4c3n2)nc2ccccc12
Show InChI InChI=1S/C22H22N6O2/c1-22(2)11-23-20(30)17-10-13-8-9-15(24-18(13)28(17)12-22)19(29)26-21-25-14-6-4-5-7-16(14)27(21)3/h4-10H,11-12H2,1-3H3,(H,23,30)(H,25,26,29)
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n/an/a 2.50E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair