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BDBM95611 2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-(3-nitrophenyl)acetamide::MLS001235922::N-(3-nitrophenyl)-2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanamide::N-(3-nitrophenyl)-2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide::N-(3-nitrophenyl)-2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]acetamide::SMR000807179::cid_7151212

SMILES: [O-][N+](=O)c1cccc(NC(=O)CSc2[nH+]ncc(=O)[n-]2)c1

InChI Key: InChIKey=UOCAMDHCSQGXRL-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95611   
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))
BDBM95611
PNG
(2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]-N-(3-nitrop...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)CSc2[nH+]ncc(=O)[n-]2)c1
Show InChI InChI=1S/C11H9N5O4S/c17-9-5-12-15-11(14-9)21-6-10(18)13-7-2-1-3-8(4-7)16(19)20/h1-5H,6H2,(H2,13,14,15,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.99E+3n/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