BDBM50497443 CHEMBL3339299

SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC

InChI Key InChIKey=IKNZTCAURQRTCY-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50497443   

TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 320nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 170nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 51nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 12nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 11nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50497443(CHEMBL3339299)
Affinity DataIC50: 620nMAssay Description:Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2....More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed