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BDBM7636 4,6 bis anilino pyrimidine deriv. 9::4-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

SMILES: COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1

InChI Key: InChIKey=VKBDUVWMGIHBQL-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 7636   
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 (CDK4)


(Homo sapiens (Human))
BDBM7636
PNG
(4,6 bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)13-18(28)14-30-20-10-6-17(7-11-20)26-22-12-21(23-15-24-22)25-16-4-8-19(29-3)9-5-16/h4-12,15,18,28H,13-14H2,1-3H3,(H2,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+4n/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: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7636
PNG
(4,6 bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)13-18(28)14-30-20-10-6-17(7-11-20)26-22-12-21(23-15-24-22)25-16-4-8-19(29-3)9-5-16/h4-12,15,18,28H,13-14H2,1-3H3,(H2,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair