BDBM50123746 6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacont-2-yl)-6-hydroxy-5-methyl-hexanoic acid 2-fluoro-ethyl ester::CHEMBL216652
SMILES: CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCC(=O)OCCF)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)CN(C)C1=O)C(C)C
InChI Key: InChIKey=SQMYPHADWGNJNF-PXLBXFLTSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein phosphatase 3 catalytic subunit alpha (Homo sapiens (Human)) | BDBM50123746 (6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopr...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Enanta Pharmaceuticals Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay | J Med Chem 46: 674-6 (2003) Article DOI: 10.1021/jm025595i BindingDB Entry DOI: 10.7270/Q2QJ7GNM | |||||||||||
More data for this Ligand-Target Pair |