BDBM50330186 3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)propanenitrile::CHEMBL1269584
SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](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](CCC#N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
InChI Key: InChIKey=JXGPCIFTVXIJMH-VNHFGJPGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclophilin B (CypB) (Homo sapiens (Human)) | BDBM50330186 (3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 24.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc. Curated by ChEMBL | Assay Description Binding affinity to cyclophilin B by ELISA | Bioorg Med Chem Lett 20: 6542-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.036 BindingDB Entry DOI: 10.7270/Q2M909NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50330186 (3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...) | PDB MMDB 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc. Curated by ChEMBL | Assay Description Binding affinity to cyclophilin A by ELISA | Bioorg Med Chem Lett 20: 6542-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.036 BindingDB Entry DOI: 10.7270/Q2M909NJ | |||||||||||
More data for this Ligand-Target Pair |