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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock factor protein 1' and Ligand = 'BDBM50234077'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234077
PNG
(CHEMBL4066791)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234077
PNG
(CHEMBL4066791)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1
Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair