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BDBM132478 US8841312, 227

SMILES: O=S(=O)(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1

InChI Key: InChIKey=XGQSZIVZWJHPHL-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 = 132478   
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))
BDBM132478
PNG
(US8841312, 227)
Show SMILES O=S(=O)(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C23H26N8O2S/c32-34(33,30-11-9-24-10-12-30)17-5-6-21(26-13-17)28-23-27-14-19-18-7-8-25-15-20(18)31(22(19)29-23)16-3-1-2-4-16/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM132478
PNG
(US8841312, 227)
Show SMILES O=S(=O)(N1CCNCC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C23H26N8O2S/c32-34(33,30-11-9-24-10-12-30)17-5-6-21(26-13-17)28-23-27-14-19-18-7-8-25-15-20(18)31(22(19)29-23)16-3-1-2-4-16/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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