new BindingDB logo
myBDB logout

BDBM47707 4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-(2-methylphenyl)-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione::4-(o-tolyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione::MLS000050578::SMR000076548::cid_969943

SMILES: Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1

InChI Key: InChIKey=VDOCMXPONDDKGI-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 = 47707   
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))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
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))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
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))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
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))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
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))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.76E+3n/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