BDBM50326051 (2R,5S,8S,11R,14S,17S,20S)-14,17-bis((1H-imidazol-5-yl)methyl)-8-((1H-indol-3-yl)methyl)-20-((2S,5R,8S,11S,14S,17R)-17-amino-2-sec-butyl-8-(4-hydroxybenzyl)-14-isopropyl-18-mercapto-5-(mercaptomethyl)-11-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecanamido)-5-((R)-1-hydroxyethyl)-2,11-bis(mercaptomethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazatricosane-1,23-dioic acid::CHEMBL1240616
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O
InChI Key: InChIKey=ZZDNODUQSUPCFL-IZKMLTDLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostate specific antigen (Homo sapiens (Human)) | BDBM50326051 ((2R,5S,8S,11R,14S,17S,20S)-14,17-bis((1H-imidazol-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
Laboratory of Molecular Biology, Medical Research Council Curated by ChEMBL | Assay Description Binding affinity to prostrate specific antigen | Nat Chem Biol 5: 502-7 (2009) Article DOI: 10.1038/nchembio.184 BindingDB Entry DOI: 10.7270/Q2Z60P9P | |||||||||||
More data for this Ligand-Target Pair |