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BDBM50424281 CHEMBL2314433

SMILES: CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=HFEVNTGRPXCJIM-UGPWUYPHNA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50424281   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50424281
PNG
(CHEMBL2314433)
Show SMILES CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/s2
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MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused human DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50424281
PNG
(CHEMBL2314433)
Show SMILES CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair