BindingDB logo
myBDB logout

null

SMILES: OCC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1

InChI Key: InChIKey=GFUYDGPHKDLMHQ-UHFFFAOYSA-N

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 = 132441   
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))
BDBM132441
PNG
(US8841312, 187)
Show SMILES OCC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C25H28FN7O/c26-23-22-19(7-10-27-23)20-14-29-25(31-24(20)33(22)17-3-1-2-4-17)30-21-6-5-18(13-28-21)32-11-8-16(15-34)9-12-32/h5-7,10,13-14,16-17,34H,1-4,8-9,11-12,15H2,(H,28,29,30,31)
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 2.90n/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))
BDBM132441
PNG
(US8841312, 187)
Show SMILES OCC1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(F)c4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C25H28FN7O/c26-23-22-19(7-10-27-23)20-14-29-25(31-24(20)33(22)17-3-1-2-4-17)30-21-6-5-18(13-28-21)32-11-8-16(15-34)9-12-32/h5-7,10,13-14,16-17,34H,1-4,8-9,11-12,15H2,(H,28,29,30,31)
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 2.80n/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