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2 similar compounds to monomer 50359005

Compile data set for download or QSAR
Wt: 298.4
BDBM77102
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Wt: 404.5
BDBM50359006
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 77102,50359006   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM77102
PNG
(2-(ethylthio)-1-(2-phenoxyethyl)benzimidazole | 2-...)
Show SMILES CCSc1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C17H18N2OS/c1-2-21-17-18-15-10-6-7-11-16(15)19(17)12-13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
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n/an/an/an/a 1.82E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay


J Med Chem 56: 1136-48 (2013)


Article DOI: 10.1021/jm3015712
BindingDB Entry DOI: 10.7270/Q2ZW1N7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 ...


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50359006
PNG
(CHEMBL1738936)
Show SMILES Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N2O2S/c1-19-11-13-21(14-12-19)27-16-15-26-23-10-6-5-9-22(23)25-24(26)29-18-17-28-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells


J Med Chem 54: 8563-73 (2011)


Article DOI: 10.1021/jm201098n
BindingDB Entry DOI: 10.7270/Q2QC03X8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)