BindingDB logo
myBDB logout

BDBM7604 2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)pyrimidin-4-yl]amino]acetonitrile::4,6-bis anilino pyrimidine deriv. 17

SMILES: CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1

InChI Key: InChIKey=UUISESFNPSRBFN-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 7604   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM7604
PNG
(2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamin...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
Show InChI InChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/j.bmcl.2005.12.071
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7604
PNG
(2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamin...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
Show InChI InChI=1S/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 100n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/j.bmcl.2005.12.071
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair