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BDBM72941 2-(2-phenylethanoylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride::2-[(1-oxo-2-phenylethyl)amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride::6-benzyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride::MLS001167352::SMR000640809::cid_16798281

SMILES: NC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(Cc3ccccc3)CCc12

InChI Key: InChIKey=KKGGUJAJTQVBFN-UHFFFAOYSA-N

Data: 1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72941   
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)
BDBM72941
PNG
(2-(2-phenylethanoylamino)-6-(phenylmethyl)-5,7-dih...)
Show SMILES NC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(Cc3ccccc3)CCc12
Show InChI InChI=1S/C23H23N3O2S/c24-22(28)21-18-11-12-26(14-17-9-5-2-6-10-17)15-19(18)29-23(21)25-20(27)13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,24,28)(H,25,27)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/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