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SMILES: COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1

InChI Key: InChIKey=KKVVHBHJHDOMJJ-SOFGYWHQSA-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 = 66727   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66727
PNG
(3-pyridinecarboxylic acid [2-methoxy-4-[(E)-2-nitr...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Show InChI InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+
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n/an/an/an/a 1.25E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM66727
PNG
(3-pyridinecarboxylic acid [2-methoxy-4-[(E)-2-nitr...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Show InChI InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+
PDB

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n/an/a 1.75E+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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM66727
PNG
(3-pyridinecarboxylic acid [2-methoxy-4-[(E)-2-nitr...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Show InChI InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+
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n/an/a 1.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM66727
PNG
(3-pyridinecarboxylic acid [2-methoxy-4-[(E)-2-nitr...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Show InChI InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM66727
PNG
(3-pyridinecarboxylic acid [2-methoxy-4-[(E)-2-nitr...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
Show InChI InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+
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n/an/a 5.87E+3n/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