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BDBM111594 US8624022, OGT4154

SMILES: N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=GCGTVJOAENIZRB-QFIPXVFZSA-N

Data: 2 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 = 111594   
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
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.60E+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))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.00E+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