BDBM50325994 (2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-20,20',20''-((2S,5R,8S,11R,14S,17R)-5,11,17-trimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecane-2,8,14-triyl)tris(4,7-bis(4-hydroxybenzyl)-2,5,8,15-tetraoxo-3'',6'',9'',16''-tetraazaicosane-20,1-diyl))tris(2,6-diaminohexanamide)::CHEMBL1241017
SMILES: C[C@H]1NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC1=O
InChI Key: InChIKey=IJZLPDMLJGSJCC-GTBINUOFSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tumor necrosis factor receptor superfamily member 5 (Homo sapiens (Human)) | BDBM50325994 ((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Biologie Moléculaire et Cellulaire Curated by ChEMBL | Assay Description Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method | Nat Chem Biol 1: 377-82 (2005) BindingDB Entry DOI: 10.7270/Q2WD40SN | |||||||||||
More data for this Ligand-Target Pair |