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BDBM95566 2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-p-phenetyl-acetamide::MLS001218308::N-(4-Ethoxy-phenyl)-2-(5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-acetamide::N-(4-ethoxyphenyl)-2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide::N-(4-ethoxyphenyl)-2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide::N-(4-ethoxyphenyl)-2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]acetamide::SMR000613470::cid_6484709

SMILES: CCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1

InChI Key: InChIKey=OPLARKHGENFVHA-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95566   
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 subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95566
PNG
(2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-p-phenety...)
Show SMILES CCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N4O3S/c1-2-20-10-5-3-9(4-6-10)15-12(19)8-21-13-16-11(18)7-14-17-13/h3-7H,2,8H2,1H3,(H,15,19)(H,16,17,18)
PDB
MMDB

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PC sid
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Similars

n/an/a 594n/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/Q22F7M18
More data for this
Ligand-Target Pair