BDBM83289 2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate::3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester O4-ethyl ester::3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester O4-ethyl ester::MLS000056085::O2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate::SMR000067190::cid_5742486
SMILES: CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C
InChI Key: InChIKey=MFDQWWHEGYOUDB-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM83289 (2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.25E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM83289 (2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.25E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3 | |||||||||||
More data for this Ligand-Target Pair |