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BDBM50161343 CHEMBL3787557

SMILES: CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1

InChI Key: InChIKey=CNDPNXGEKIICHK-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 = 50161343   
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 Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161343
PNG
(CHEMBL3787557)
Show SMILES CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1
Show InChI InChI=1S/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20)
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 130n/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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161343
PNG
(CHEMBL3787557)
Show SMILES CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1
Show InChI InChI=1S/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/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