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BDBM46499 1-[[4-[(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea::MLS000720002::SMR000304531::[(E)-[4-[(E)-(thiocarbamoylhydrazono)methyl]benzylidene]amino]thiourea::[[4-[(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea::[[4-[(thiocarbamoylhydrazono)methyl]benzylidene]amino]thiourea::cid_3781603::terephthalaldehyde dithiosemicarbazone

SMILES: NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1

InChI Key: InChIKey=VTZWNSAFVYMODF-ACFHMISVSA-N

Data: 1 IC50  2 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 = 46499   
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
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46499
PNG
(1-[[4-[(carbamothioylhydrazinylidene)methyl]phenyl...)
Show SMILES NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C10H12N6S2/c11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)/b13-5+,14-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XG9PJP
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM46499
PNG
(1-[[4-[(carbamothioylhydrazinylidene)methyl]phenyl...)
Show SMILES NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C10H12N6S2/c11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)/b13-5+,14-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.55E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair
Pancreatic endoplasmic reticulum kinase (PERK)


(Homo sapiens (Human))
BDBM46499
PNG
(1-[[4-[(carbamothioylhydrazinylidene)methyl]phenyl...)
Show SMILES NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C10H12N6S2/c11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18)/b13-5+,14-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XTZ
More data for this
Ligand-Target Pair