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BDBM50442402 FLEMINGSIN

SMILES: [#6]-[#8]-c1cc(ccc1-[#8])-c1coc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1=O

InChI Key: InChIKey=HTHLDJJBNQWUJJ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50442402   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sialidase


(Clostridium perfringens)
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.68E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.92E+4n/an/an/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.74E+4n/an/an/an/an/an/a



Qiqihar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometric analysis


Bioorg Med Chem Lett 26: 318-21 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.021
BindingDB Entry DOI: 10.7270/Q2C82C4W
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50442402
PNG
(FLEMINGSIN)
Show SMILES COc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
Show InChI InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-20(27)21(12-16)31-5/h6-8,11-13,27-29H,9-10H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.75E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by fl...


Bioorg Med Chem 21: 6398-404 (2013)


Article DOI: 10.1016/j.bmc.2013.08.049
BindingDB Entry DOI: 10.7270/Q2Z89DVN
More data for this
Ligand-Target Pair