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BDBM50341204 (Z)-3-butylidenephthalide::CHEMBL1765390

SMILES: CCC\C=C1\OC(=O)c2ccccc12

InChI Key: InChIKey=WMBOCUXXNSOQHM-DHZHZOJOSA-N

Data: 2 KI  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 4 hits for monomerid = 50341204   
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
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.86E+3n/an/an/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Mixed type inhibition of baker's yeast alpha-glucosidase by Dixon plot analysis


J Nat Prod 76: 468-83 (2013)


Article DOI: 10.1021/np300869g
BindingDB Entry DOI: 10.7270/Q28P61WB
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.86E+6n/an/an/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


J Nat Prod 74: 314-20 (2011)


Article DOI: 10.1021/np100447a
BindingDB Entry DOI: 10.7270/Q25D8S53
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.35E+6n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of baker's yeast alpha-glucosidase


J Nat Prod 76: 468-83 (2013)


Article DOI: 10.1021/np300869g
BindingDB Entry DOI: 10.7270/Q28P61WB
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.35E+6n/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


J Nat Prod 74: 314-20 (2011)


Article DOI: 10.1021/np100447a
BindingDB Entry DOI: 10.7270/Q25D8S53
More data for this
Ligand-Target Pair