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BDBM89292 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amine::MLS000388564::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine::SMR000254737::cid_5253159

SMILES: Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C

InChI Key: InChIKey=WXGIXNLIJQWFLG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 89292   
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
Zinc finger protein GLI1


(Mus musculus)
BDBM89292
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimeth...)
Show SMILES Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C
Show InChI InChI=1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
PDB
MMDB

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UniChem

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PCBioAssay
n/an/a 5.17E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM89292
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimeth...)
Show SMILES Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C
Show InChI InChI=1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 8.54E+4n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM89292
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimeth...)
Show SMILES Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C
Show InChI InChI=1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
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KEGG

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UniProtKB/TrEMBL

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antibodypedia
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n/an/a 3.38E+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/Q21Z431S
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89292
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5,6-dimeth...)
Show SMILES Cc1sc2ncnc(NCC3COc4ccccc4O3)c2c1C
Show InChI InChI=1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
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n/an/a 441n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair