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BDBM148264 7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide::Kisqali::LEE011::Ribociclib::US8962630, 74

SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1

InChI Key: InChIKey=RHXHGRAEPCAFML-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 148264   
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 1


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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US Patent
n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


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


US Patent US8962630 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4H6C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay was run under the conditions identical to that for CDK1/cyclin B except 0.25 nM CDK1/cyclin B was replaced with 0.3 nM CDK2/cyclin A. A 384...


US Patent US8962630 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4H6C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 10n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8962630 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4H6C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 1.13E+5n/an/an/an/an/a25



Novartis AG

US Patent


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


US Patent US8962630 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4H6C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 7.60E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay was run under the conditions identical to that for CDK1/cyclin B except 0.25 nM CDK1/cyclin B was replaced with 0.3 nM CDK2/cyclin A. A 384...


US Patent US8962630 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4H6C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 39n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/CyclinD3 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 197n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of human CDK9/CyclinT1 by enzymatic radiometric assay


Bioorg Med Chem Lett 27: 3231-3237 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 197n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay


Eur J Med Chem 144: 1-28 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair