BDBM50217027 ((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(naphthalen-2-yloxy)acetamido)hexanamido)-3-methylbutanamido)acetamido)-3-hydroxybutanoyl)pyrrolidin-2-yl)methyl cyclopentylcarbamate::CHEMBL267657
SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1COC(=O)NC1CCCC1
InChI Key: InChIKey=ACGWIQSKBNBWSK-BSAGQGNBSA-N
Data: 1 Kd
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)) | BDBM50217027 (((S)-1-((2S,3R)-2-(2-((S)-2-((S)-6-amino-2-(2-(nap...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a |
University of Hamburg Curated by ChEMBL | Assay Description Binding affinity to CD4 by SPR assay | J Med Chem 50: 3482-8 (2007) Article DOI: 10.1021/jm070206b BindingDB Entry DOI: 10.7270/Q2Q2412N | |||||||||||
More data for this Ligand-Target Pair |