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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.4
BDBM132597

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))
BDBM132597
PNG
(US8841312, 346)
Show SMILES C1CC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
Show InChI InChI=1S/C21H23N9/c1-2-14(3-1)30-17-13-23-7-6-15(17)16-12-24-21(26-20(16)30)25-18-4-5-19(28-27-18)29-10-8-22-9-11-29/h4-7,12-14,22H,1-3,8-11H2,(H,24,25,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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))
BDBM132597
PNG
(US8841312, 346)
Show SMILES C1CC(C1)n1c2cnccc2c2cnc(Nc3ccc(nn3)N3CCNCC3)nc12
Show InChI InChI=1S/C21H23N9/c1-2-14(3-1)30-17-13-23-7-6-15(17)16-12-24-21(26-20(16)30)25-18-4-5-19(28-27-18)29-10-8-22-9-11-29/h4-7,12-14,22H,1-3,8-11H2,(H,24,25,26,27)
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 54n/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