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3 similar compounds to monomer 50234088

Compile data set for download or QSAR
Wt: 451.5
BDBM50320762
Wt: 489.5
BDBM50234089
Wt: 439.4
BDBM50234090

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50320762,50234089,50234090   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50320762
PNG
(CHEMBL1164063 | N-(2-Aminophenyl)-4-(((biphenyl-4-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CCO)Cc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29N3O2/c30-27-8-4-5-9-28(27)31-29(34)26-16-12-23(13-17-26)21-32(18-19-33)20-22-10-14-25(15-11-22)24-6-2-1-3-7-24/h1-17,33H,18-21,30H2,(H,31,34)
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PubMed
n/an/a 700n/an/an/an/an/an/a



Kansai University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem 18: 3925-33 (2010)


Article DOI: 10.1016/j.bmc.2010.04.033
BindingDB Entry DOI: 10.7270/Q29S1R6H
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234089
PNG
(CHEMBL4063608)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NS(=O)(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C26H23N3O5S/c1-16-3-7-20(29-35(31,32)21-8-10-24-25(15-21)34-12-11-33-24)14-23(16)28-26(30)19-6-9-22-18(13-19)5-4-17(2)27-22/h3-10,13-15,29H,11-12H2,1-2H3,(H,28,30)
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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))
BDBM50234089
PNG
(CHEMBL4063608)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NS(=O)(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C26H23N3O5S/c1-16-3-7-20(29-35(31,32)21-8-10-24-25(15-21)34-12-11-33-24)14-23(16)28-26(30)19-6-9-22-18(13-19)5-4-17(2)27-22/h3-10,13-15,29H,11-12H2,1-2H3,(H,28,30)
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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))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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n/an/a 51n/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))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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n/an/a 51n/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