BDBM55037 3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)-4-methylbenzoic acid::3-[5-[(Z)-[2,4-bis(oxidanylidene)-3-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoic acid::3-[5-[(Z)-[3-(2-anilino-2-keto-ethyl)-2,4-diketo-thiazolidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoic acid::3-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid::3-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-furanyl]-4-methylbenzoic acid::MLS000705088::SMR000231712::cid_1232170
SMILES: Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1)C(O)=O
InChI Key: InChIKey=WTPQFTZEPOVIPL-NDENLUEZSA-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 |
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NS3 (Hepatitis C virus) | BDBM55037 (3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thia...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.39E+3 | 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 (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/Q2XS5ST3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM55037 (3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Curated by ChEMBL | Assay Description Inhibition of PGES-1 in human whole blood assessed as LPS-induced PGE2 formation incubated for 15 mins prior to LPS addition measured after 24 hrs by... | J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM55037 (3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thia...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University Curated by ChEMBL | Assay Description Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibitio... | J Med Chem 56: 3296-309 (2013) Article DOI: 10.1021/jm301900x BindingDB Entry DOI: 10.7270/Q2TB188S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human)) | BDBM55037 (3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thia...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.75E+3 | 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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM | |||||||||||
More data for this Ligand-Target Pair |