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BDBM60131 MLS000703192::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide::SMR000273656::cid_3193182

SMILES: CCc1c(C)nc(SCC(=O)Nc2ccc3OCCOc3c2)[nH]c1=O

InChI Key: InChIKey=NCUAYFVTDAYVMC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 60131   
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))
BDBM60131
PNG
(MLS000703192 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CCc1c(C)nc(SCC(=O)Nc2ccc3OCCOc3c2)[nH]c1=O
Show InChI InChI=1S/C17H19N3O4S/c1-3-12-10(2)18-17(20-16(12)22)25-9-15(21)19-11-4-5-13-14(8-11)24-7-6-23-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)(H,18,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.55E+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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60131
PNG
(MLS000703192 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES CCc1c(C)nc(SCC(=O)Nc2ccc3OCCOc3c2)[nH]c1=O
Show InChI InChI=1S/C17H19N3O4S/c1-3-12-10(2)18-17(20-16(12)22)25-9-15(21)19-11-4-5-13-14(8-11)24-7-6-23-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,21)(H,18,20,22)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.02E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair