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BDBM7595 4,6-bis anilino pyrimidine deriv. 8::4-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine

SMILES: COc1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1

InChI Key: InChIKey=BSIBGXRENHGRJA-UHFFFAOYNA-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 = 7595   
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))
BDBM7595
PNG
(4,6-bis anilino pyrimidine deriv. 8 | 4-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1/C22H27N5O3/c1-27(2)13-17(28)14-30-18-10-8-16(9-11-18)25-21-12-22(24-15-23-21)26-19-6-4-5-7-20(19)29-3/h4-12,15,17,28H,13-14H2,1-3H3,(H2,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+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: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7595
PNG
(4,6-bis anilino pyrimidine deriv. 8 | 4-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1/C22H27N5O3/c1-27(2)13-17(28)14-30-18-10-8-16(9-11-18)25-21-12-22(24-15-23-21)26-19-6-4-5-7-20(19)29-3/h4-12,15,17,28H,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 2.30E+4n/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/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair