BDBM50093810 (S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,2-dicarboxy-ethylcarbamoyl)-4-hydroxy-phenyl]-4-[(3S,10S,13R,17R)-17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-2-hydroxy-benzoylamino)-succinic acid::2-(3-Chloro-5-{1-[3-chloro-5-(1,2-dicarboxy-ethylcarbamoyl)-4-hydroxy-phenyl]-4-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-but-1-enyl}-2-hydroxy-benzoylamino)-succinic acid::CHEMBL265031
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])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-c5cc(Cl)c(-[#8])c(c5)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6]-[#6][C@]4([#6])[#6]-3-[#6]-[#6][C@]12[#6]
InChI Key: InChIKey=PHKHNFRWBACUFW-YTTMOGQDSA-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)) | BDBM50093810![]() ((S)-2-(3-Chloro-5-{1-[3-chloro-5-((S)-1,2-dicarbox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.22E+5 | 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 |