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BDBM64813 MLS-0435423.0001::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide::cid_4444203

SMILES: Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1

InChI Key: InChIKey=YYLIVKBVIHHRKA-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 = 64813   
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))
BDBM64813
PNG
(MLS-0435423.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N3O4S/c1-8-12-14(20)17-7-18-16(12)24-13(8)15(21)19-9-2-3-10-11(6-9)23-5-4-22-10/h2-3,6-7H,4-5H2,1H3,(H,19,21)(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM64813
PNG
(MLS-0435423.0001 | N-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H13N3O4S/c1-8-12-14(20)17-7-18-16(12)24-13(8)15(21)19-9-2-3-10-11(6-9)23-5-4-22-10/h2-3,6-7H,4-5H2,1H3,(H,19,21)(H,17,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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