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1 similar compounds to monomer 50234085

Compile data set for download or QSAR
Wt: 453.4
BDBM50234086

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234086   
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
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234086
PNG
(CHEMBL4082534)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2cccc3OCCOc23)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-6-10-20(29-27(32)21-4-3-5-24-25(21)34-13-12-33-24)15-23(16)30-26(31)19-9-11-22-18(14-19)8-7-17(2)28-22/h3-11,14-15H,12-13H2,1-2H3,(H,29,32)(H,30,31)
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B.MOAD
GoogleScholar
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
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234086
PNG
(CHEMBL4082534)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2cccc3OCCOc23)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-6-10-20(29-27(32)21-4-3-5-24-25(21)34-13-12-33-24)15-23(16)30-26(31)19-9-11-22-18(14-19)8-7-17(2)28-22/h3-11,14-15H,12-13H2,1-2H3,(H,29,32)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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