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SMILES: CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1

InChI Key: InChIKey=CREYUURVAPLCCE-UHFFFAOYSA-N

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 3 hits for monomerid = 67244   
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
Apelin receptor


(Homo sapiens (Human))
BDBM67244
PNG
(6-ethyl-2-(2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-...)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
Show InChI InChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
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PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM67244
PNG
(6-ethyl-2-(2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-...)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
Show InChI InChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
PDB

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PCBioAssay
n/an/an/an/a 1.29E+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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM67244
PNG
(6-ethyl-2-(2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-...)
Show SMILES CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
Show InChI InChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
PDB

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antibodypedia
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UniChem

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PCBioAssay
n/an/a 2.91E+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/Q2CJ8BXT
More data for this
Ligand-Target Pair