BindingDB logo
myBDB logout

4 similar compounds to monomer 70866

Compile data set for download or QSAR
Wt: 374.4
BDBM43518
Wt: 428.4
BDBM61619
Wt: 428.4
BDBM80062
Purchase
Wt: 558.5
BDBM70856

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 43518,61619,80062,70856   
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
STAT3


(Homo sapiens (Human))
BDBM43518
PNG
(2-[(E)-1-(benzenesulfonyl)-2-(3-methylphenyl)ethen...)
Show SMILES Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43518
PNG
(2-[(E)-1-(benzenesulfonyl)-2-(3-methylphenyl)ethen...)
Show SMILES Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM61619
PNG
(2-[(E)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61619
PNG
(2-[(E)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.28E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM70856
PNG
(US9694002, 35)
Show SMILES Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(c1)C(F)(F)F
Show InChI InChI=1/C26H27F5N2O4S/c27-17-6-5-16(22(10-17)26(29,30)31)13-33-9-1-2-18(14-33)37-24-12-23(28)21(11-20(24)15-3-4-15)25(34)32-38(35,36)19-7-8-19/h5-6,10-12,15,18-19H,1-4,7-9,13-14H2,(H,32,34)/t18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM61619
PNG
(2-[(E)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.60E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80062
PNG
(2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 2.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi5003234
BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61619
PNG
(2-[(E)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.28E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM80062
PNG
(2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a>1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM80062
PNG
(2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair