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)	Ligand	Target/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	pH	Temp °C
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM44830 (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	PCBioAssay	n/a	n/a	n/a	n/a	5.54E+3	n/a	n/a	n/a	n/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
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM44830 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/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 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Androgen Receptor (Homo sapiens (Human))	BDBM44830 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Androgen Receptor (Homo sapiens (Human))	BDBM44830 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)