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BDBM50161396 CHEMBL3785795

SMILES: COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12

InChI Key: InChIKey=CIQQNJQVGQVLBS-UHFFFAOYNA-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 = 50161396   
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))
BDBM50161396
PNG
(CHEMBL3785795)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
Show InChI InChI=1/C23H22N4O3/c1-30-19-13-20(24-16-9-3-2-7-14(16)19)26-23(29)25-17-10-6-8-15-21(17)18-11-4-5-12-27(18)22(15)28/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H2,24,25,26,29)
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))
BDBM50161396
PNG
(CHEMBL3785795)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
Show InChI InChI=1/C23H22N4O3/c1-30-19-13-20(24-16-9-3-2-7-14(16)19)26-23(29)25-17-10-6-8-15-21(17)18-11-4-5-12-27(18)22(15)28/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H2,24,25,26,29)
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 150n/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