BDBM50079777 (E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-[(E)-2-((3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-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::CHEMBL66247::FK-506::FR-900506::Prograf::Protopic::Tacrolimus

SMILES [H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC

InChI Key InChIKey=QJJXYPPXXYFBGM-STMGOOOQSA-N

Data  1 IC50  1 EC50

PDB links: 31 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079777   

TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50079777((E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-All...)
Affinity DataEC50:  0.900nMAssay Description:Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506More data for this Ligand-Target Pair
TargetProtein phosphatase 3 catalytic subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50079777((E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-All...)
Affinity DataIC50:  15nMAssay Description:Inhibitory activity against Calcineurin (CaN phosphatase)More data for this Ligand-Target Pair