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BDBM95820 2-[(8-methyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-p-anisyl-acetamide::MLS001225463::N-(4-Methoxy-benzyl)-2-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetamide::N-[(4-methoxyphenyl)methyl]-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide::N-[(4-methoxyphenyl)methyl]-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide::N-[(4-methoxyphenyl)methyl]-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide::SMR000607023::cid_24792494

SMILES: COc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc32)cc1

InChI Key: InChIKey=ZKWLVNNBWDIWGN-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95820   
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
methionyl-tRNA synthetase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)
BDBM95820
PNG
(2-[(8-methyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)th...)
Show SMILES COc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc32)cc1
Show InChI InChI=1S/C20H19N5O2S/c1-12-3-8-16-15(9-12)18-19(22-16)23-20(25-24-18)28-11-17(26)21-10-13-4-6-14(27-2)7-5-13/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,23,25)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 720n/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/Q2XP73JZ
More data for this
Ligand-Target Pair