BDBM114656 (5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester::(5E)-5-[1-(4-aminoanilino)butylidene]-4,6-diketo-2,2-dimethyl-cyclohexanecarboxylic acid methyl ester::5-[1-(4-Amino-phenylamino)-but-(Z)-ylidene]-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester::MLS000559552::SMR000149668::cid_5904397::methyl (5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate::methyl (5E)-5-[1-[(4-aminophenyl)amino]butylidene]-2,2-dimethyl-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate
SMILES: CCCC(Nc1ccc(N)cc1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
InChI Key: InChIKey=ROSACZVAPBIXQQ-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human)) | BDBM114656 ((5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl...) | PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.33E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2R49PFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human)) | BDBM114656 ((5E)-5-[1-(4-aminoanilino)butylidene]-2,2-dimethyl...) | PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.33E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VX0F59 | |||||||||||
More data for this Ligand-Target Pair |