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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 147044   
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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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US Patent
n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...


US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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US Patent
n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...


US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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US Patent
n/an/a 1.80E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...


US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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US Patent
n/an/a 2.06E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...


US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair