BDBM50153520 (S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid::2-Ethoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid::AGEE-623ZW::CHEMBL1272::Prandin::REPAGLINIDE

SMILES CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O

InChI Key InChIKey=FAEKWTJYAYMJKF-QHCPKHFHSA-N

Data  6 IC50  1 Kd

PDB links: 12 PDB IDs match this monomer.

  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 7 hits for monomerid = 50153520   

TargetATP-binding cassette sub-family C member 8(Homo sapiens (Human))
University Of Mainz

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataKd:  50nMAssay Description:Displacement of [3H]glibenclamide from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 8(Homo sapiens (Human))
University Of Mainz

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  106nMAssay Description:In vitro displacement of [3H]-glibenclamide (IC50=0.61) from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  9.20E+3nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  1.67E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  5.39E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  7.23E+4nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50153520((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed