new BindingDB logo
myBDB logout

BDBM50161358 CHEMBL3787033

SMILES: Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1

InChI Key: InChIKey=USHCDIYIJWMLLK-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50161358   
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))
BDBM50161358
PNG
(CHEMBL3787033)
Show SMILES Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C19H18BrN3O/c1-19(2,3)11-5-4-10-8-13-16(12(10)9-11)22-18(21)23-17(13)14-6-7-15(20)24-14/h4-7,9H,8H2,1-3H3,(H2,21,22,23)
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 810n/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