BDBM50284193 (E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(E)-2-((1R,3R,4R)-4-Allyloxy-3-hydroxy-cyclohexyl)-1-methyl-vinyl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone::CHEMBL170655
SMILES: CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(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](OCC=C)[C@H](O)C1
InChI Key: InChIKey=YXDTYURQOYUKNV-YZYSVRRVSA-N
Data: 1 EC50
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)) | BDBM50284193 ((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay | Bioorg Med Chem Lett 4: 927-930 (1994) Article DOI: 10.1016/S0960-894X(01)80265-1 BindingDB Entry DOI: 10.7270/Q2CN73VP | |||||||||||
More data for this Ligand-Target Pair |