BDBM50184396 (S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-(4-{[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfinyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide::CHEMBL203536
SMILES: CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)S(=O)Cc1nncn1CCC
InChI Key: InChIKey=AQXIPTPSJDOCRP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50184396 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5 | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50184396 ((S)-(-)-8-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]RANTES from CCR5 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair |