BDBM50079783 12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy)-3-methoxy-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::CHEMBL268110
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\C1CC[C@@H](OC[C@H](O)c2cc3ccccc3s2)[C@@H](C1)OC
InChI Key: InChIKey=FFIBCBPBSHITJV-SCEJQGMOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
calcineurin (Homo sapiens (Human)) | BDBM50079783 (12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against Calcineurin (CaN phosphatase) | Bioorg Med Chem Lett 9: 2089-94 (1999) BindingDB Entry DOI: 10.7270/Q2XG9QBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50079783 (12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...) | 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 | 12 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506 | Bioorg Med Chem Lett 9: 2089-94 (1999) BindingDB Entry DOI: 10.7270/Q2XG9QBD | |||||||||||
More data for this Ligand-Target Pair |