BindingDB logo
myBDB logout

6 similar compounds to monomer 7595

Compile data set for download or QSAR
Wt: 379.4
BDBM7589
Wt: 393.4
BDBM7590
Wt: 409.4
BDBM7610
Wt: 413.9
BDBM7635
Wt: 409.4
BDBM7636
Wt: 393.4
BDBM7637

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 7589,7590,7610,7635,7636,7637   
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))
BDBM7589
PNG
(4,6-bis anilino pyrimidine deriv. 2 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)13-18(27)14-28-19-10-8-17(9-11-19)25-21-12-20(22-15-23-21)24-16-6-4-3-5-7-16/h3-12,15,18,27H,13-14H2,1-2H3,(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7590
PNG
(4,6-bis anilino pyrimidine deriv. 3 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3C)ncn2)cc1
Show InChI InChI=1/C22H27N5O2/c1-16-6-4-5-7-20(16)26-22-12-21(23-15-24-22)25-17-8-10-19(11-9-17)29-14-18(28)13-27(2)3/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 8.00E+3n/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
CDK2/CycE


(Homo sapiens (Human))
BDBM7589
PNG
(4,6-bis anilino pyrimidine deriv. 2 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)13-18(27)14-28-19-10-8-17(9-11-19)25-21-12-20(22-15-23-21)24-16-6-4-3-5-7-16/h3-12,15,18,27H,13-14H2,1-2H3,(H2,22,23,24,25)
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: 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
CDK2/CycE


(Homo sapiens (Human))
BDBM7590
PNG
(4,6-bis anilino pyrimidine deriv. 3 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3C)ncn2)cc1
Show InChI InChI=1/C22H27N5O2/c1-16-6-4-5-7-20(16)26-22-12-21(23-15-24-22)25-17-8-10-19(11-9-17)29-14-18(28)13-27(2)3/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 3.90E+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))
BDBM7610
PNG
(2,4-bis anilino pyrimidine deriv. 6 | 2-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1
Show InChI InChI=1/C22H27N5O3/c1-27(2)14-17(28)15-30-18-10-8-16(9-11-18)24-22-23-13-12-21(26-22)25-19-6-4-5-7-20(19)29-3/h4-13,17,28H,14-15H2,1-3H3,(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 1.90E+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: 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
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=1/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))
BDBM7635
PNG
(4,6 bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1
Show InChI InChI=1/C21H24ClN5O2/c1-27(2)12-18(28)13-29-19-9-7-17(8-10-19)26-21-11-20(23-14-24-21)25-16-5-3-15(22)4-6-16/h3-11,14,18,28H,12-13H2,1-2H3,(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
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=1/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
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=1/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7635
PNG
(4,6 bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1
Show InChI InChI=1/C21H24ClN5O2/c1-27(2)12-18(28)13-29-19-9-7-17(8-10-19)26-21-11-20(23-14-24-21)25-16-5-3-15(22)4-6-16/h3-11,14,18,28H,12-13H2,1-2H3,(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 4.10E+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
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=1/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))
BDBM7610
PNG
(2,4-bis anilino pyrimidine deriv. 6 | 2-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1
Show InChI InChI=1/C22H27N5O3/c1-27(2)14-17(28)15-30-18-10-8-16(9-11-18)24-22-23-13-12-21(26-22)25-19-6-4-5-7-20(19)29-3/h4-13,17,28H,14-15H2,1-3H3,(H2,23,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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: 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