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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.5
BDBM132488

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))
BDBM132488
PNG
(US8841312, 237)
Show SMILES C(c1cccs1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
Show InChI InChI=1S/C24H23N7S/c1-2-18(32-11-1)16-31-21-12-24(28-14-20(21)19-5-6-26-15-22(19)31)29-23-4-3-17(13-27-23)30-9-7-25-8-10-30/h1-6,11-15,25H,7-10,16H2,(H,27,28,29)
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MMDB

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PC sid
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Similars

US Patent
n/an/a 49n/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))
BDBM132488
PNG
(US8841312, 237)
Show SMILES C(c1cccs1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)cc12
Show InChI InChI=1S/C24H23N7S/c1-2-18(32-11-1)16-31-21-12-24(28-14-20(21)19-5-6-26-15-22(19)31)29-23-4-3-17(13-27-23)30-9-7-25-8-10-30/h1-6,11-15,25H,7-10,16H2,(H,27,28,29)
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 131n/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