BDBM50119433 24-(1,6-Dihydroxy-2-methyl-hex-4-enyl)-3-hydroxy-21-(1-hydroxy-ethyl)-9,12,15,30,33-pentaisobutyl-3,27-diisopropyl-1,6,10,16,19,25,28-heptamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CID44361203::cyclo-[8'-OH-MeBmt-Thr-MeGly-MeLeu-Leu-Ala-D-Hiv-MeLeu-Leu-MeVal]24-(1,6-Dihydroxy-2-methyl-hex-4-enyl)-3-hydroxy-21-(1-hydroxy-ethyl)-9,12,15,30,33-pentaisobutyl-3,27-diisopropyl-1,6,10,16,19,25,28-heptamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::cyclosporin analogue 57

SMILES CC(C)CC1NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC(=O)C([C@H](O)[C@H](C)C\C=C\CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@](O)(NC(=O)C(C)NC(=O)[C@@H](CC(C)C)N(C)C1=O)C(C)C)C(C)O

InChI Key InChIKey=DKJXSKSIKYKEDU-SJTPPAENSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50119433   

TargetATP-dependent translocase ABCB1(Human)
Strasbourg 1 University

Curated by ChEMBL
LigandPNGBDBM50119433(24-(1,6-Dihydroxy-2-methyl-hex-4-enyl)-3-hydroxy-2...)
Affinity DataIC50:  1.58E+4nMAssay Description:Inhibitory activity against Human MDR1 P-Glycoprotein ABC Transporter using leukemia CEM cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed