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BDBM5723 2-aminothiazole 7::5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-N-(pyridin-2-yl)-1,3-thiazol-2-amine

SMILES: CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1

InChI Key: InChIKey=DUEBWXVTFJJWCJ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 5723   
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 1 (CDK1)


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
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MMDB

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PC sid
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
PDB
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antibodypedia
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PC sid
UniChem

Patents

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



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5723
PNG
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair