BDBM64804 4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]-N-(4-hydroxyphenyl)butyramide::4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)butanamide::MLS-0279279.0001::N-(4-hydroxyphenyl)-4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide::N-(4-hydroxyphenyl)-4-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butanamide::cid_1416928
SMILES: Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
InChI Key: InChIKey=ICDCQPCOQOOGEQ-GHRIWEEISA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human)) | BDBM64804 (4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F47MKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 55 (Homo sapiens (Human)) | BDBM64804 (4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028PZ5 | |||||||||||
More data for this Ligand-Target Pair |