BindingDB logo
myBDB logout

BDBM50475544 CHEMBL372120

SMILES: COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)Nc2c1

InChI Key: InChIKey=YLUHXAHNPQALMQ-VGOFMYFVSA-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 = 50475544   
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)
BDBM50475544
PNG
(CHEMBL372120)
Show SMILES COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


Bioorg Med Chem Lett 23: 4465-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.078
BindingDB Entry DOI: 10.7270/Q2P55RFC
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475544
PNG
(CHEMBL372120)
Show SMILES COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair