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2 similar compounds to monomer 12082

Compile data set for download or QSAR
Wt: 487.3
BDBM7600
Wt: 427.9
BDBM7640

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 7600,7640   
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))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(H,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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))
BDBM7640
PNG
(4,6 bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1
Show InChI InChI=1S/C22H26ClN5O2/c1-15-4-9-19(23)20(10-15)27-22-11-21(24-14-25-22)26-16-5-7-18(8-6-16)30-13-17(29)12-28(2)3/h4-11,14,17,29H,12-13H2,1-3H3,(H2,24,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/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))
BDBM7640
PNG
(4,6 bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1
Show InChI InChI=1S/C22H26ClN5O2/c1-15-4-9-19(23)20(10-15)27-22-11-21(24-14-25-22)26-16-5-7-18(8-6-16)30-13-17(29)12-28(2)3/h4-11,14,17,29H,12-13H2,1-3H3,(H2,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+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))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/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