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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.6
BDBM132705

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM132705
PNG
(US8841312, 455)
Show SMILES OC1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C28H35N9O/c38-21-10-15-35(16-11-21)19-8-13-36(14-9-19)26-6-5-25(33-34-26)31-28-30-17-23-22-7-12-29-18-24(22)37(27(23)32-28)20-3-1-2-4-20/h5-7,12,17-21,38H,1-4,8-11,13-16H2,(H,30,31,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM132705
PNG
(US8841312, 455)
Show SMILES OC1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C28H35N9O/c38-21-10-15-35(16-11-21)19-8-13-36(14-9-19)26-6-5-25(33-34-26)31-28-30-17-23-22-7-12-29-18-24(22)37(27(23)32-28)20-3-1-2-4-20/h5-7,12,17-21,38H,1-4,8-11,13-16H2,(H,30,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair