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PDB code 5L2T

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 6

  (301/301 = 100%)
(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)


Article DOI: 10.1016/j.ejmech.2017.08.071
BindingDB Entry DOI: 10.7270/Q2S1856W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6

  (301/301 = 100%)
(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 26.9n/an/an/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
LANCE method of PerkinElmer Inc. was used in the assay, and recombinant CDK4/CyclinD3 (Item No.: 04-105) and CDK6/CyclinD3 (Item No.: 04-107) kinases...


US Patent US10570141 (2020)


BindingDB Entry DOI: 10.7270/Q2RV0R3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK6/CycD3

  (301/301 = 100%)
(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)


Article DOI: 10.1016/j.ejmech.2017.12.003
BindingDB Entry DOI: 10.7270/Q28C9ZX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6

  (301/301 = 100%)
(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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Article
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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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output