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BDBM95818 2-(8-Fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-N-(4-methyl-benzyl)-acetamide::2-[(8-fluoranyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]ethanamide::2-[(8-fluoro-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-methylbenzyl)acetamide::2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide::2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[(4-methylphenyl)methyl]acetamide::MLS001221932::SMR000607038::cid_24792369

SMILES: Cc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc32)cc1

InChI Key: InChIKey=NFQMWAJOOGFNFS-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 95818   
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)
BDBM95818
PNG
(2-(8-Fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-ylsul...)
Show SMILES Cc1ccc(CNC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc32)cc1
Show InChI InChI=1S/C19H16FN5OS/c1-11-2-4-12(5-3-11)9-21-16(26)10-27-19-23-18-17(24-25-19)14-8-13(20)6-7-15(14)22-18/h2-8H,9-10H2,1H3,(H,21,26)(H,22,23,25)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 785n/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