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BDBM253917 US9464092, I::US9527857, I

SMILES: CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1

InChI Key: InChIKey=UKDNMBIYQCJECP-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 253917   
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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.12E+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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB
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PC cid
PC sid
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n/an/a 1.13E+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
CDK2/CycE


(Homo sapiens (Human))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.12E+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 2 (CDK2)


(Homo sapiens (Human))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.13E+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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.12E+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))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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/Cyclin A1


(Homo sapiens (Human))
BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
PDB

KEGG

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.13E+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