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2 similar compounds to monomer 6051

Compile data set for download or QSAR
Wt: 382.4
BDBM6043
Wt: 424.4
BDBM6048

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 6043,6048   
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))
BDBM6043
PNG
(1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C18H18N6O2S/c1-8-17(27-9(2)19-8)15-13-14(21-22-15)10-6-5-7-11(12(10)16(13)25)20-18(26)23-24(3)4/h5-7H,1-4H3,(H,21,22)(H2,20,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.622



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6048
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES Cc1nc(C)c(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H20N6O3S/c1-10-19(30-11(2)21-10)17-15-16(23-24-17)12-4-3-5-13(14(12)18(15)27)22-20(28)25-26-6-8-29-9-7-26/h3-5H,6-9H2,1-2H3,(H,23,24)(H2,22,25,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6043
PNG
(1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
Show InChI InChI=1S/C18H18N6O2S/c1-8-17(27-9(2)19-8)15-13-14(21-22-15)10-6-5-7-11(12(10)16(13)25)20-18(26)23-24(3)4/h5-7H,1-4H3,(H,21,22)(H2,20,23,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6048
PNG
(3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-i...)
Show SMILES Cc1nc(C)c(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
Show InChI InChI=1S/C20H20N6O3S/c1-10-19(30-11(2)21-10)17-15-16(23-24-17)12-4-3-5-13(14(12)18(15)27)22-20(28)25-26-6-8-29-9-7-26/h3-5H,6-9H2,1-2H3,(H,23,24)(H2,22,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>370n/an/an/an/a7.622



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


Bioorg Med Chem Lett 14: 343-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.008
BindingDB Entry DOI: 10.7270/Q2XS5SMD
More data for this
Ligand-Target Pair