BDBM189379 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate::Felodipine

SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC

InChI Key InChIKey=RZTAMFZIAATZDJ-UHFFFAOYSA-N

Data  5 IC50  1 Kd  4 EC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 189379   

TargetAurora kinase B(Homo sapiens (Human))
Jawaharlal Nehru Centre For Advanced Scientific Research

LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataKd:  1.14E+3nMpH: 8.0 T: 2°CAssay Description:Calorimetric titrations were performed in a Microcal iTC 200 microcalorimeter. Freshly purified 5 µM protein (Aurora A/B kinases) was titrated agains...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataEC50:  3.90E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataEC50:  7.10E+3nMAssay Description:Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataEC50:  1.90E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataIC50: >1.33E+5nMAssay 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
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataIC50:  6.97E+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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataIC50: >1.33E+5nMAssay 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
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataIC50: >1.33E+5nMAssay 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
TargetNuclear receptor subfamily 1 group I member 2(Rattus norvegicus)
National Institutes Of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
Affinity DataEC50:  2.34E+4nMAssay Description:Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 189379   

CellSerine/threonine-protein kinase Aurora-B(Homo sapiens (Human))
Jawaharlal Nehru Centre For Advanced Scientific Research

SyringePNGBDBM189379(5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)
ITC DataΔG°: -8.60kcal/mole −TΔS°: 5.45kcal/mole ΔH°: -3.10kcal/mole logk: 2.03E+6
pH: 8.0 T: 25.00°C 
In DepthDetails ArticlePubMed