Search and Browse
Download
Enter Data
BDBM34218 3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dimethyl-[2,2']bi[[1,3]dithiolylidene]-4-ylsulfanyl]-propionitrile::3-[[(2E)-2-[4-(2-cyanoethylsulfanyl)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]sulfanyl]propanenitrile::3-[[(2E)-2-[4-(2-cyanoethylthio)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]thio]propanenitrile::3-[[(2E)-2-[4-(2-cyanoethylthio)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]thio]propionitrile::MLS000029767::SMR000011057::cid_3137831
SMILES: CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1
InChI Key: InChIKey=WZGZKOJPIUYGCY-BUHFOSPRSA-N
Data: 7 IC50
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet  | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | 8.0 | 23 |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estrogen receptor (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/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: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM34218 (3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/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: John A. Katzenellenbogen, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
