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SMILES: COC(=O)c1ccnc(n1)N1CCN(CC1)C(C)c1ccc2CCOc2c1

InChI Key: InChIKey=PAPDPOKMWBCUOG-UHFFFAOYSA-N

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 = 430494   
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
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430494
PNG
(US10556902, No 102 | US11612599, Compound 102)
Show SMILES COC(=O)c1ccnc(n1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H24N4O3/c1-14(16-4-3-15-6-12-27-18(15)13-16)23-8-10-24(11-9-23)20-21-7-5-17(22-20)19(25)26-2/h3-5,7,13-14H,6,8-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a


TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430494
PNG
(US10556902, No 102 | US11612599, Compound 102)
Show SMILES COC(=O)c1ccnc(n1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H24N4O3/c1-14(16-4-3-15-6-12-27-18(15)13-16)23-8-10-24(11-9-23)20-21-7-5-17(22-20)19(25)26-2/h3-5,7,13-14H,6,8-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


US Patent US10556902 (2020)


BindingDB Entry DOI: 10.7270/Q2KK9F67
More data for this
Ligand-Target Pair