BDBM50029190 15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,19,25,27,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CHEMBL2370706
SMILES: [H][C@]1(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@H](C(O)C(C)C\C=C\C)N(C)C1=O)C(C)C
InChI Key: InChIKey=RSLBTQJZWBITFN-YDQQYGCFSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FK506-binding protein 1B (Homo sapiens (Human)) | BDBM50029190 (15-Benzyl-30-ethyl-33-(1-hydroxy-2-methyl-hex-4-en...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase). | J Med Chem 38: 4164-70 (1995) BindingDB Entry DOI: 10.7270/Q2X34WGK | |||||||||||
More data for this Ligand-Target Pair |