null

SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

InChI Key InChIKey=XCGSFFUVFURLIX-VFGNJEKYSA-N

PDB links: 6 PDB IDs match this monomer.

  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 4 hits for monomerid = 50027065   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  1.43E+4nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W95B7ZPubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  1.80E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8BH2PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  9.89E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W95B7ZPubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  1.89E+5nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8BH2PubMed