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BDBM46485 MLS000672380::N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide::N-(2-fluorophenyl)-3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide::N-(2-fluorophenyl)-3-[5-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide::N-(2-fluorophenyl)-3-[5-[[2-(2-methoxyanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide::N-(2-fluorophenyl)-3-[5-[[2-keto-2-(o-anisidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide::SMR000295995::cid_2971905

SMILES: COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C

InChI Key: InChIKey=FOUSBIWHXJFEHP-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 46485   
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
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46485
PNG
(MLS000672380 | N-(2-fluorophenyl)-3-[5-({2-[(2-met...)
Show SMILES COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C
Show InChI InChI=1S/C21H22FN5O3S/c1-27-18(11-12-19(28)23-15-8-4-3-7-14(15)22)25-26-21(27)31-13-20(29)24-16-9-5-6-10-17(16)30-2/h3-10H,11-13H2,1-2H3,(H,23,28)(H,24,29)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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
Eukaryotic translation initiation factor 2-alpha kinase 3


(Homo sapiens (Human))
BDBM46485
PNG
(MLS000672380 | N-(2-fluorophenyl)-3-[5-({2-[(2-met...)
Show SMILES COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C
Show InChI InChI=1S/C21H22FN5O3S/c1-27-18(11-12-19(28)23-15-8-4-3-7-14(15)22)25-26-21(27)31-13-20(29)24-16-9-5-6-10-17(16)30-2/h3-10H,11-13H2,1-2H3,(H,23,28)(H,24,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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