BDBM50136484 CHEMBL2407581::Cyclosporin A analogue
SMILES: [H][C@@]1([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](C)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)[C@@H](SCCN(CC)CC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C
InChI Key: InChIKey=FTUVUYXKBIUTBX-TVVDEEIUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50136484 (CHEMBL2407581 | Cyclosporin A analogue) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris Curated by ChEMBL | Assay Description Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. | Bioorg Med Chem Lett 13: 4415-9 (2003) BindingDB Entry DOI: 10.7270/Q2183715 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50136484 (CHEMBL2407581 | Cyclosporin A analogue) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV-1 RT in CEM4 cell line | Bioorg Med Chem Lett 13: 4415-9 (2003) BindingDB Entry DOI: 10.7270/Q2183715 | |||||||||||
More data for this Ligand-Target Pair |