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BDBM61431 4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine::4-chloro-5-(2,3-dihydro-1,4-benzodioxin-2-yl)thieno[2,3-d]pyrimidine::4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine::MLS000547582::SMR000115094::cid_3913718

SMILES: Clc1ncnc2scc(C3COc4ccccc4O3)c12

InChI Key: InChIKey=BYXYOOUBQILWGZ-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 61431   
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
Hsf1 protein


(Mus musculus)
BDBM61431
PNG
(4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)th...)
Show SMILES Clc1ncnc2scc(C3COc4ccccc4O3)c12
Show InChI InChI=1S/C14H9ClN2O2S/c15-13-12-8(6-20-14(12)17-7-16-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.14E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61431
PNG
(4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)th...)
Show SMILES Clc1ncnc2scc(C3COc4ccccc4O3)c12
Show InChI InChI=1S/C14H9ClN2O2S/c15-13-12-8(6-20-14(12)17-7-16-13)11-5-18-9-3-1-2-4-10(9)19-11/h1-4,6-7,11H,5H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.38E+3n/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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair