BindingDB logo
myBDB logout

BDBM132726 US8841312, 476

SMILES: COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1

InChI Key: InChIKey=GKYNYPYSGJOBRE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 132726   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM132726
PNG
(US8841312, 476)
Show SMILES COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C26H31N9O2/c1-37-24(36)16-28-17-9-12-34(13-10-17)23-7-6-22(32-33-23)30-26-29-14-20-19-8-11-27-15-21(19)35(25(20)31-26)18-4-2-3-5-18/h6-8,11,14-15,17-18,28H,2-5,9-10,12-13,16H2,1H3,(H,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 1.70n/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))
BDBM132726
PNG
(US8841312, 476)
Show SMILES COC(=O)CNC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C26H31N9O2/c1-37-24(36)16-28-17-9-12-34(13-10-17)23-7-6-22(32-33-23)30-26-29-14-20-19-8-11-27-15-21(19)35(25(20)31-26)18-4-2-3-5-18/h6-8,11,14-15,17-18,28H,2-5,9-10,12-13,16H2,1H3,(H,29,30,31,32)
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 26n/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