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BDBM50155237 CHEMBL184404::N-(5-Cyclobutyl-thiazol-2-yl)-2-isoquinolin-5-yl-acetamide

SMILES: O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1

InChI Key: InChIKey=JPWSUSDWOYHFRI-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 = 50155237   
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-like kinase 5


(Homo sapiens (Human))
BDBM50155237
PNG
(CHEMBL184404 | N-(5-Cyclobutyl-thiazol-2-yl)-2-iso...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 13n/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
CDK2/CycE


(Homo sapiens (Human))
BDBM50155237
PNG
(CHEMBL184404 | N-(5-Cyclobutyl-thiazol-2-yl)-2-iso...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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