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SMILES: CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12

InChI Key: InChIKey=MLNFTJJAUJRVBN-UHFFFAOYSA-N

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 3 hits for monomerid = 50217334   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.62E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair