BindingDB logo
myBDB logout

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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
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

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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 ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
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)


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))
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
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)


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))
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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)


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