BDBM50186754 2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol::CHEMBL207989
SMILES: COc1cc(OC)cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1
InChI Key: InChIKey=MPUREFBGFHHVBA-MDZDMXLPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50186754![]() (2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bologna Curated by ChEMBL | Assay Description Antiproliferative activity against MDR human HL60R cell line | J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcr-Abl (Homo sapiens (Human)) | BDBM50186754![]() (2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bologna Curated by ChEMBL | Assay Description Antiproliferative activity against human K562 cell line expressing Bcr-Abl | J Med Chem 49: 3012-8 (2006) Article DOI: 10.1021/jm060253o BindingDB Entry DOI: 10.7270/Q2R49RKZ | |||||||||||
More data for this Ligand-Target Pair |