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SMILES: CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12

InChI Key: InChIKey=ICLUJHGSWBKLKJ-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 = 50471432   
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)
BDBM50471432
PNG
(CHEMBL118314)
Show SMILES CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C20H19NO3/c1-2-3-13-8-12-9-14(23)4-6-16(12)20-18(11-22)17-7-5-15(24)10-19(17)21(13)20/h4-7,9-11,13,23-24H,2-3,8H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>7.00E+4n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using isolated calf brain


J Med Chem 40: 3524-33 (1997)


Article DOI: 10.1021/jm970177c
BindingDB Entry DOI: 10.7270/Q29S1TRH
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50471432
PNG
(CHEMBL118314)
Show SMILES CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C20H19NO3/c1-2-3-13-8-12-9-14(23)4-6-16(12)20-18(11-22)17-7-5-15(24)10-19(17)21(13)20/h4-7,9-11,13,23-24H,2-3,8H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of Tubulin polymerization by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM


J Med Chem 41: 4965-72 (1998)


Article DOI: 10.1021/jm980228l
BindingDB Entry DOI: 10.7270/Q2NV9N0D
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50471432
PNG
(CHEMBL118314)
Show SMILES CCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C20H19NO3/c1-2-3-13-8-12-9-14(23)4-6-16(12)20-18(11-22)17-7-5-15(24)10-19(17)21(13)20/h4-7,9-11,13,23-24H,2-3,8H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using isolated calf brain


J Med Chem 40: 3524-33 (1997)


Article DOI: 10.1021/jm970177c
BindingDB Entry DOI: 10.7270/Q29S1TRH
More data for this
Ligand-Target Pair