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BDBM67169 4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-nitrophenyl acetate::MLS000536984::SMR000143621::[4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitro-phenyl] ethanoate::[4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl] acetate::acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolinyl)ethenyl]-6-nitrophenyl] ester::acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolyl)vinyl]-6-nitro-phenyl] ester::cid_5740287

SMILES: COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=DBGCMZKUJJBDQZ-CSKARUKUSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 67169   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM67169
PNG
(4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-ni...)
Show SMILES COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.26E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM67169
PNG
(4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-ni...)
Show SMILES COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.69E+4n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67169
PNG
(4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-ni...)
Show SMILES COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+
PDB

Reactome pathway
KEGG

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.03E+4n/an/an/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair