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BDBM7591 4,6-bis anilino pyrimidine deriv. 4::4-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-6-N-[2-(propan-2-yl)phenyl]pyrimidine-4,6-diamine

SMILES: CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1

InChI Key: InChIKey=CBFCBMJPNCKBPX-UHFFFAOYSA-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 = 7591   
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))
BDBM7591
PNG
(4,6-bis anilino pyrimidine deriv. 4 | 4-N-{4-[3-(d...)
Show SMILES CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1S/C24H31N5O2/c1-17(2)21-7-5-6-8-22(21)28-24-13-23(25-16-26-24)27-18-9-11-20(12-10-18)31-15-19(30)14-29(3)4/h5-13,16-17,19,30H,14-15H2,1-4H3,(H2,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+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))
BDBM7591
PNG
(4,6-bis anilino pyrimidine deriv. 4 | 4-N-{4-[3-(d...)
Show SMILES CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1S/C24H31N5O2/c1-17(2)21-7-5-6-8-22(21)28-24-13-23(25-16-26-24)27-18-9-11-20(12-10-18)31-15-19(30)14-29(3)4/h5-13,16-17,19,30H,14-15H2,1-4H3,(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+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