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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialidase' and Ligand = 'BDBM50380204'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sialidase


(Clostridium perfringens)
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1.40E+5n/an/an/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90E+5n/an/an/an/an/an/a



INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY

US Patent


Assay Description
Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...


US Patent US10406136 (2019)


BindingDB Entry DOI: 10.7270/Q2NS0X86
More data for this
Ligand-Target Pair