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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.5
BDBM132435

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))
BDBM132435
PNG
(US8841312, 182)
Show SMILES COc1ccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c2n1
Show InChI InChI=1S/C24H28N8O/c1-33-21-9-7-18-19-15-27-24(30-23(19)32(22(18)29-21)16-4-2-3-5-16)28-20-8-6-17(14-26-20)31-12-10-25-11-13-31/h6-9,14-16,25H,2-5,10-13H2,1H3,(H,26,27,28,30)
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PC cid
PC sid
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Similars

US Patent
n/an/a 16n/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))
BDBM132435
PNG
(US8841312, 182)
Show SMILES COc1ccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c2n1
Show InChI InChI=1S/C24H28N8O/c1-33-21-9-7-18-19-15-27-24(30-23(19)32(22(18)29-21)16-4-2-3-5-16)28-20-8-6-17(14-26-20)31-12-10-25-11-13-31/h6-9,14-16,25H,2-5,10-13H2,1H3,(H,26,27,28,30)
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 113n/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