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BDBM58985 MLS000697418::N-[2-(1H-indol-3-yl)ethyl]-N'-[(3-tosyl-1,3-oxazinan-2-yl)methyl]oxamide::N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]ethanediamide::N-[2-(1H-indol-3-yl)ethyl]-N'-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide::SMR000238058::cid_12005840

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12

InChI Key: InChIKey=YIOKCFHYBLQBAG-UHFFFAOYSA-N

Data: 1 EC50

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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 = 58985   
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
large T antigen


(Simian virus 40)
BDBM58985
PNG
(MLS000697418 | N-[2-(1H-indol-3-yl)ethyl]-N'-[(3-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H28N4O5S/c1-17-7-9-19(10-8-17)34(31,32)28-13-4-14-33-22(28)16-27-24(30)23(29)25-12-11-18-15-26-21-6-3-2-5-20(18)21/h2-3,5-10,15,22,26H,4,11-14,16H2,1H3,(H,25,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.77E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair