BDBM41525 1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole::1-(4-fluorobenzyl)-3-[(E)-2-nitrovinyl]indole::1-[(4-fluorophenyl)methyl]-3-[(E)-2-nitroethenyl]indole::MLS000577100::SMR000198179::cid_889149
SMILES: [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
InChI Key: InChIKey=MBJQESWKYNPHIO-MDZDMXLPSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ephrin type-B receptor 4 (Homo sapiens (Human)) | BDBM41525 (1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >7.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KP80J0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM41525 (1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.36E+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 (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM41525 (1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.46E+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 (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM41525 (1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.49E+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 (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair |