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SMILES: CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1

InChI Key: InChIKey=AFNLCIYQHOAMKF-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 63166   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM63166
PNG
(MLS000586455 | N-butyl-4-[(4-keto-8-methoxy-2-thio...)
Show SMILES CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-3-4-11-24-21(28)15-7-5-14(6-8-15)13-27-22(29)20-19(26-23(27)31)17-12-16(30-2)9-10-18(17)25-20/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.24E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM63166
PNG
(MLS000586455 | N-butyl-4-[(4-keto-8-methoxy-2-thio...)
Show SMILES CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
Show InChI InChI=1S/C23H22N4O3S/c1-3-4-11-24-21(28)15-7-5-14(6-8-15)13-27-22(29)20-19(26-23(27)31)17-12-16(30-2)9-10-18(17)25-20/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.02E+3n/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: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair