BDBM50699 (2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-3-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile::(2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile::(2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-thiazol-2-ylidene]-3-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile::(2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-4-thiazolin-2-ylidene]-3-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile::(E)-2-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-3-(4-hydroxy-3-nitro-phenyl)-acrylonitrile::MLS000777382::SMR000413866::cid_16682695
SMILES: COc1ccc(cc1OC)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
InChI Key: InChIKey=YHFQVRXQLQCSDD-VGOFMYFVSA-O
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Methyl-CpG binding domain protein 2 (Homo sapiens (Human)) | BDBM50699 ((2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.78E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q20K2778 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50699 ((2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.67E+3 | 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: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair |