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BDBM7637 4,6 bis anilino pyrimidine deriv. 10::4-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-6-N-(4-methylphenyl)pyrimidine-4,6-diamine

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

InChI Key: InChIKey=NBOVNLFVOZSRGZ-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 7637   
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))
BDBM7637
PNG
(4,6 bis anilino pyrimidine deriv. 10 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(C)cc3)ncn2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-4-6-17(7-5-16)25-21-12-22(24-15-23-21)26-18-8-10-20(11-9-18)29-14-19(28)13-27(2)3/h4-12,15,19,28H,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 2.50E+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))
BDBM7637
PNG
(4,6 bis anilino pyrimidine deriv. 10 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(C)cc3)ncn2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-4-6-17(7-5-16)25-21-12-22(24-15-23-21)26-18-8-10-20(11-9-18)29-14-19(28)13-27(2)3/h4-12,15,19,28H,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