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BDBM253928 US9464092, T::US9527857, T

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1

InChI Key: InChIKey=PDGKHKMBHVFCMG-UHFFFAOYSA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 253928   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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UniChem
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n/an/a 0.800n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.66E+3n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.67E+3n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 0.821n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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PC sid
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n/an/a 1.66n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.67n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.67E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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PC sid
UniChem
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n/an/a 1.66E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
CDK2/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.67E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 0.800n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 0.821n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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PC cid
PC sid
UniChem
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n/an/a 1.66E+3n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253928
PNG
(US9464092, T | US9527857, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 5.64n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair