BindingDB logo
myBDB logout

BDBM50152676 CHEMBL3780828

SMILES: COc1ccc(CNc2c(nc3ccccn23)-c2ccccc2O)cc1

InChI Key: InChIKey=XDUIMXRFODCPGK-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 = 50152676   
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
Tubulin beta chain


(Sus scrofa)
BDBM50152676
PNG
(CHEMBL3780828)
Show SMILES COc1ccc(CNc2c(nc3ccccn23)-c2ccccc2O)cc1
Show InChI InChI=1S/C21H19N3O2/c1-26-16-11-9-15(10-12-16)14-22-21-20(17-6-2-3-7-18(17)25)23-19-8-4-5-13-24(19)21/h2-13,22,25H,14H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.35E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis


Eur J Med Chem 112: 367-72 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.004
BindingDB Entry DOI: 10.7270/Q2ZK5JHD
More data for this
Ligand-Target Pair