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BDBM64814 MLS-0435424.0001::N-(4-ethylphenyl)-2-[(4-keto-3-p-anisyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetamide::N-(4-ethylphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-ethanamide::N-(4-ethylphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide::N-(4-ethylphenyl)-2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetamide::cid_3459444

SMILES: CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1

InChI Key: InChIKey=VFUZYRQIHJKJET-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 64814   
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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM64814
PNG
(MLS-0435424.0001 | N-(4-ethylphenyl)-2-[(4-keto-3-...)
Show SMILES CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-16-4-8-18(9-5-16)25-21(28)15-32-24-26-20-12-13-31-22(20)23(29)27(24)14-17-6-10-19(30-2)11-7-17/h4-13H,3,14-15H2,1-2H3,(H,25,28)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F47MKR
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM64814
PNG
(MLS-0435424.0001 | N-(4-ethylphenyl)-2-[(4-keto-3-...)
Show SMILES CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-16-4-8-18(9-5-16)25-21(28)15-32-24-26-20-12-13-31-22(20)23(29)27(24)14-17-6-10-19(30-2)11-7-17/h4-13H,3,14-15H2,1-2H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028PZ5
More data for this
Ligand-Target Pair