BDBM50326090 (E)-2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitrophenyl)-1-(4-(4-(2-hydroxy-ethyl)piperazine-1-carbonyl)phenyl)prop-2-en-1-one::CHEMBL1242391
SMILES: OCCN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
InChI Key: InChIKey=AATUFOXFWPLFGG-OVVQPSECSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bcr-Abl (Homo sapiens (Human)) | BDBM50326090 ((E)-2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitropheny...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Medicine Curated by ChEMBL | Assay Description Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis | Bioorg Med Chem 18: 2317-26 (2010) Article DOI: 10.1016/j.bmc.2010.01.051 BindingDB Entry DOI: 10.7270/Q21Z44N8 | |||||||||||
More data for this Ligand-Target Pair |