BindingDB logo
myBDB logout

BDBM43042 2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile::2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6-phenylpyridine-3-carbonitrile::2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-6-phenyl-nicotinonitrile::2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile::2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-6-phenylnicotinonitrile::MLS000544625::SMR000162928::cid_979025

SMILES: O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O

InChI Key: InChIKey=PSHLFTMJJZRDTR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 43042   
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
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.55E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM43042
PNG
(2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)...)
Show SMILES O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.37E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair