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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.5
BDBM132556

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 6


(Homo sapiens (Human))
BDBM132556
PNG
(US8841312, 305)
Show SMILES O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1 |r|
Show InChI InChI=1S/C24H26N6O/c31-18-11-12-29(15-18)17-9-10-22(25-13-17)27-24-26-14-20-19-7-3-4-8-21(19)30(23(20)28-24)16-5-1-2-6-16/h3-4,7-10,13-14,16,18,31H,1-2,5-6,11-12,15H2,(H,25,26,27,28)/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 111n/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 4


(Homo sapiens (Human))
BDBM132556
PNG
(US8841312, 305)
Show SMILES O[C@H]1CCN(C1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2ccccc32)nc1 |r|
Show InChI InChI=1S/C24H26N6O/c31-18-11-12-29(15-18)17-9-10-22(25-13-17)27-24-26-14-20-19-7-3-4-8-21(19)30(23(20)28-24)16-5-1-2-6-16/h3-4,7-10,13-14,16,18,31H,1-2,5-6,11-12,15H2,(H,25,26,27,28)/t18-/m0/s1
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 149n/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