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BDBM83824 MLS002182868::N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[(3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide::N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[(4-keto-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide::N-[2-(dimethylamino)-2-phenylethyl]-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide::N-[2-(dimethylamino)-2-phenylethyl]-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetamide::SMR001271898::cid_25161904

SMILES: CN(C)C(CNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1C)c1ccccc1

InChI Key: InChIKey=PGCZOFPLHDFVKB-UHFFFAOYSA-N

Data: 1 EC50

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 = 83824   
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
FXN frataxin


(Aspergillus niger)
BDBM83824
PNG
(MLS002182868 | N-[2-(dimethylamino)-2-phenyl-ethyl...)
Show SMILES CN(C)C(CNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1C)c1ccccc1
Show InChI InChI=1S/C23H28N4O2S2/c1-26(2)17(15-9-5-4-6-10-15)13-24-19(28)14-30-23-25-21-20(22(29)27(23)3)16-11-7-8-12-18(16)31-21/h4-6,9-10,17H,7-8,11-14H2,1-3H3,(H,24,28)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.96E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair