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BDBM50155235 CHEMBL186470::N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-methyl-benzothiazol-6-yl)-acetamide

SMILES: Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1

InChI Key: InChIKey=YZXFATFOBBTPIG-UHFFFAOYSA-N

Data: 2 IC50

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 = 50155235   
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))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair