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BDBM50161349 CHEMBL3786332

SMILES: OCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1

InChI Key: InChIKey=NTPGDBKTVIJBGN-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 = 50161349   
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))
BDBM50161349
PNG
(CHEMBL3786332)
Show SMILES OCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14BrN3O/c1-2-9-3-4-10-8-12-15(11(10)7-9)20-17(19)21-16(12)13-5-6-14(18)22-13/h3-7H,2,8H2,1H3,(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161349
PNG
(CHEMBL3786332)
Show SMILES OCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14BrN3O/c1-2-9-3-4-10-8-12-15(11(10)7-9)20-17(19)21-16(12)13-5-6-14(18)22-13/h3-7H,2,8H2,1H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair