BDBM50079770 C32-O-Phenalkyl ether derivative of Ascomycin::CHEMBL406186
SMILES: CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCCc2ccccc2)[C@@H](C1)OC
InChI Key: InChIKey=HGTJETPMBLCTFM-LCOPKUQTSA-N
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 FKBP1A (Homo sapiens (Human)) | BDBM50079770 (C32-O-Phenalkyl ether derivative of Ascomycin | CH...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand | Bioorg Med Chem Lett 9: 2085-8 (1999) BindingDB Entry DOI: 10.7270/Q22806SS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
calcineurin (Homo sapiens (Human)) | BDBM50079770 (C32-O-Phenalkyl ether derivative of Ascomycin | CH...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Concentration required for inhibition of serine/threonine protein phosphatase calcineurin (CAN) | Bioorg Med Chem Lett 9: 2085-8 (1999) BindingDB Entry DOI: 10.7270/Q22806SS | |||||||||||
More data for this Ligand-Target Pair |