BindingDB logo
myBDB logout

BDBM50355214 CHEMBL401566

SMILES: [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-[#6]-[#6@@H]-3-[#6@@H](-[#8]-c4c-3ccc(-[#8])c4-[#6]\[#6]=[#6](\[#6])-[#6])-c12

InChI Key: InChIKey=SHSISVOIQZYVQR-AFMDSPMNSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50355214   
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
Sialidase


(Clostridium perfringens)
BDBM50355214
PNG
(CHEMBL401566)
Show SMILES COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4c3ccc(O)c4CC=C(C)C)c12
Show InChI InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Linewe...


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50355214
PNG
(CHEMBL401566)
Show SMILES COc1c(CC=C(C)C)c(O)cc2OC[C@@H]3[C@@H](Oc4c3ccc(O)c4CC=C(C)C)c12
Show InChI InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorometry


Bioorg Med Chem Lett 21: 6100-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.046
BindingDB Entry DOI: 10.7270/Q2C53M8X
More data for this
Ligand-Target Pair