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BDBM8055 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26::4-[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol::4-[4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino]phenol, 7::4-{[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol

SMILES: Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1

InChI Key: InChIKey=MUSBOHKPZFHPFH-UHFFFAOYSA-N

Data: 2 KI  1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 3 hits for monomerid = 8055   
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))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
30 -10.4n/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))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
320 -9.00n/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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.50E+4n/an/an/an/a7.520



University of Cambridge





Nat Chem Biol 2: 608-17 (2006)


Article DOI: 10.1038/nchembio825
BindingDB Entry DOI: 10.7270/Q29C6VS4
More data for this
Ligand-Target Pair