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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase' and Ligand = 'BDBM111595'   
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
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair