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BDBM50455058 CHEMBL4208366::US10696678, Example 14

SMILES: CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1

InChI Key: InChIKey=UBYXZTIDJPASEM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50455058   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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n/an/a 6.80n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay


Bioorg Med Chem Lett 28: 974-978 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.068
BindingDB Entry DOI: 10.7270/Q2BC4236
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...


Bioorg Med Chem Lett 28: 974-978 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.068
BindingDB Entry DOI: 10.7270/Q2BC4236
More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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US Patent
n/an/a 4.56E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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US Patent
n/an/a 6.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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n/an/a 46n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length CDK6 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 mins by ADP-G...


Bioorg Med Chem Lett 28: 974-978 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.068
BindingDB Entry DOI: 10.7270/Q2BC4236
More data for this
Ligand-Target Pair