null

SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F

InChI Key InChIKey=YEHNDLQWKSUNTD-UHFFFAOYSA-N

  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 5 hits for monomerid = 50140803   

TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Xenova Ltd.

Curated by ChEMBL
LigandPNGBDBM50140803(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 76nMAssay Description:Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4VH0PubMed
TargetMultidrug resistance-associated protein 1(Mus musculus)
Xenova Ltd.

Curated by ChEMBL
LigandPNGBDBM50140803(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 9.73E+3nMAssay Description:Inhibitory concentration to inhibit MRP1 in CYP 3A4 assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4VH0PubMed
TargetMultidrug resistance-associated protein 1(Mus musculus)
Xenova Ltd.

Curated by ChEMBL
LigandPNGBDBM50140803(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataEC50:  235nMAssay Description:Effective concentration of the compound to inhibit MRP1 in potentiation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4VH0PubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
Xenova Ltd.

Curated by ChEMBL
LigandPNGBDBM50140803(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 4.95E+3nMAssay Description:Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 cell lineMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4VH0PubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Xenova Ltd.

Curated by ChEMBL
LigandPNGBDBM50140803(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibitory concentration against multidrug resistance associated protein 1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X34X15PubMed