new BindingDB logo
myBDB logout

BDBM47711 5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester::5-methyl-2-nicotinamido-thiophene-3-carboxylic acid methyl ester::MLS000065647::SMR000080289::cid_1245092::methyl 5-methyl-2-(pyridin-3-ylcarbonylamino)thiophene-3-carboxylate::methyl 5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate::methyl 5-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate

SMILES: COC(=O)c1cc(C)sc1NC(=O)c1cccnc1

InChI Key: InChIKey=OSENPYLYFGDURZ-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 = 47711   
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
RGS7


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400177q
BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair