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BDBM8064 1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]benzene-1,3-diamine::2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35::N-[4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-yl]benzene-1,3-diamine

SMILES: Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(N)c2)n1

InChI Key: InChIKey=WASIAIVBEHTSIW-UHFFFAOYSA-N

Data: 2 KI

PDB links: 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 8064   
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))
BDBM8064
PNG
(1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(N)c2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,16H2,1-2H3,(H,17,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
400 -8.87n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8064
PNG
(1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(N)c2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,16H2,1-2H3,(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.06E+4 -6.89n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair