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BDBM44830 2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole::2-(2-phenoxyethylsulfanyl)-1H-benzimidazole::2-(2-phenoxyethylthio)-1H-benzimidazole::MLS000122796::SMR000120173::cid_1944110

SMILES: C(CSc1nc2ccccc2[nH]1)Oc1ccccc1

InChI Key: InChIKey=UEYUFQWEHMSHIX-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 44830   
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
PDB

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PCBioAssay
n/an/an/an/a 5.54E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
UniProtKB/SwissProt

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n/an/an/an/a 5.96E+3n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 4.20E+3n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of BF3 site of androgen receptor in enzalutamide-resistant human LNCAP cells assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (human))
BDBM44830
PNG
(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Show SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
Show InChI InChI=1S/C15H14N2OS/c1-2-6-12(7-3-1)18-10-11-19-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 4.30E+3n/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 assessed as reduction in PSA level after 3 days


J Med Chem 56: 1136-48 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)