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BDBM76128 2-quinoxalinecarboxylic acid [3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester::CMLD004012::MLS000438675::SMR000452724::[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] quinoxaline-2-carboxylate::[3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl] quinoxaline-2-carboxylate::cid_16745602::quinoxaline-2-carboxylic acid [6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-2-phenyl-7-isoquinolyl] ester

SMILES: COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1

InChI Key: InChIKey=RTXNTIWMRSBTST-DHZHZOJOSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 76128   
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
Apelin receptor


(Homo sapiens (Human))
BDBM76128
PNG
(2-quinoxalinecarboxylic acid [3-[(E)-3-methoxyprop...)
Show SMILES COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
Show InChI InChI=1S/C29H23N3O5/c1-29(37-28(35)25-17-30-23-12-6-7-13-24(23)31-25)26(33)16-19-15-21(11-8-14-36-2)32(18-22(19)27(29)34)20-9-4-3-5-10-20/h3-13,15-18H,14H2,1-2H3/b11-8+
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NV9GP9
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76128
PNG
(2-quinoxalinecarboxylic acid [3-[(E)-3-methoxyprop...)
Show SMILES COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
Show InChI InChI=1S/C29H23N3O5/c1-29(37-28(35)25-17-30-23-12-6-7-13-24(23)31-25)26(33)16-19-15-21(11-8-14-36-2)32(18-22(19)27(29)34)20-9-4-3-5-10-20/h3-13,15-18H,14H2,1-2H3/b11-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair