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BDBM50149364 4-Amino-2-(4-hydroxy-phenyl)-6-nitro-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL334224

SMILES: Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O

InChI Key: InChIKey=ZNGGCOOMIJEOKO-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149364   
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
Adenosine A1 receptor


(BOVINE)
BDBM50149364
PNG
(4-Amino-2-(4-hydroxy-phenyl)-6-nitro-2H-[1,2,4]tri...)
Show SMILES Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
446n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.


J Med Chem 47: 3580-90 (2004)


Article DOI: 10.1021/jm031136l
BindingDB Entry DOI: 10.7270/Q2CV4JHH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50149364
PNG
(4-Amino-2-(4-hydroxy-phenyl)-6-nitro-2H-[1,2,4]tri...)
Show SMILES Nc1nc2c(cccc2n2c1nn(-c1ccc(O)cc1)c2=O)[N+]([O-])=O
Show InChI InChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17)
PDB
MMDB

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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes


J Med Chem 47: 3580-90 (2004)


Article DOI: 10.1021/jm031136l
BindingDB Entry DOI: 10.7270/Q2CV4JHH
More data for this
Ligand-Target Pair