BDBM50069212 2-(4-carboxybenzyloxy)-5-{1-[3-carboxy-4-(4-carboxybenzyloxy)-5-chlorophenyl]-4-[1-(1,5-dimethylhexyl)-9a,11a-dimethylperhydrocyclopenta[a]phenanthren-7-yl]-1-butenyl}-3-chlorobenzoic acid::3'',3'''-Dichloro-4'',4'''-bis(p-carboxybenzyloxy)-5'',5'''-dicarboxy-4',4'-diphenyl-3beta-[1-(3'-butenyl)]cholestane::CHEMBL384834::Cosalane analogue
SMILES: [#6]-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6@H]1-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]-[#6]4-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c5cc(Cl)c(-[#8]-[#6]-c6ccc(cc6)-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8]-[#6]-c6ccc(cc6)-[#6](-[#8])=O)c(c5)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]
InChI Key: InChIKey=CBMYONLLLYUFIS-IYSNICKISA-N
Data: 1 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
T-cell surface antigen CD4 (Homo sapiens (Human)) | BDBM50069212 (2-(4-carboxybenzyloxy)-5-{1-[3-carboxy-4-(4-carbox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay | J Med Chem 44: 703-14 (2001) BindingDB Entry DOI: 10.7270/Q2TX3GKX | |||||||||||
More data for this Ligand-Target Pair |