BDBM96902 (E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-thiophen-2-ylmethyl-acrylamide::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-thenyl)acrylamide::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide::(E)-2-cyano-3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide::MLS000556235::SMR000147552::cid_1405179
SMILES: Cc1cc(\C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F
InChI Key: InChIKey=YUVZHFNSYKQLIJ-GZTJUZNOSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96902 ((E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20G3HS3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96902 ((E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2BR8QSB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96902 ((E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2M61HV2 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96902 ((E)-2-Cyano-3-[1-(2-fluoro-phenyl)-2,5-dimethyl-1H...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VQ3196 | ||||||||||||
More data for this Ligand-Target Pair |