BDBM50119397 33-(1-Hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,10,12,15,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CID44360931::cyclo-[MeBmt-Val-MeGly-MeLeu-Val-MeLeu-Ala-D-Ala-MeLeu-Leu-MeVal]33-(1-Hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,10,12,15,19,25,28-octamethyl-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 52

SMILES C\C=C\C[C@@H](C)[C@@H](O)C1N(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@@H](C)NC(=O)C(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)C(=O)C(NC1=O)C(C)C)C(C)C

InChI Key InChIKey=UYPPEWHLQQUDPM-XFHVWFGQSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50119397   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Strasbourg 1 University

Curated by ChEMBL
LigandPNGBDBM50119397(33-(1-Hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetra...)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibitory activity against Human MDR1 P-Glycoprotein ABC Transporter using leukemia CEM cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed