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SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1

InChI Key: InChIKey=WOPKDKPJTJHLPB-OQLLNIDSSA-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 4 hits for monomerid = 50454323   
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
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
UniProtKB/SwissProt

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UniChem
Article
PubMed
1.77E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
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PC sid
UniChem
Article
PubMed
1.99E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
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UniChem
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PubMed
n/an/a 2.06E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometry


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.51E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair