BDBM55896 2-[(E)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-5-ylidene]methyl]-5-(p-anisidino)oxazole-4-carbonitrile::5-(4-Methoxy-phenylamino)-2-[4-oxo-3-(tetrahydro-furan-2-ylmethyl)-2-thioxo-thiazolidin-(5E)-ylideneme thyl]-oxazole-4-carbonitrile::5-(4-methoxyanilino)-2-[(E)-[4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]-4-oxazolecarbonitrile::5-(4-methoxyanilino)-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile::5-[(4-methoxyphenyl)amino]-2-[(E)-[4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile::MLS000333439::SMR000437596::cid_16430496
SMILES: COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1
InChI Key: InChIKey=DXPHGFRWZPLPDG-CXUHLZMHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM55896 (2-[(E)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thi...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.60E+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: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide Y receptor type 2 (Homo sapiens (Human)) | BDBM55896 (2-[(E)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.28E+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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28P5XX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuropeptide Y receptor type 1 (Homo sapiens (Human)) | BDBM55896 (2-[(E)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.36E+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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29P302B | |||||||||||
More data for this Ligand-Target Pair |