BindingDB logo
myBDB logout

null

SMILES: C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C

InChI Key: InChIKey=ZKALVEIABNRJPU-ZDUSSCGKSA-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 5 hits for monomerid = 263433   
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
Probable G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263433
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r|
Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
1.15E+3 -7.53n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


BindingDB Entry DOI: 10.7270/Q29025SJ
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263433
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r|
Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
1.15E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263433
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r|
Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
1.15E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263433
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r|
Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
1.15E+6n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US10561662 (2020)


BindingDB Entry DOI: 10.7270/Q2Q52S1K
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263433
PNG
((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r|
Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 24n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair