BDBM48449 3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE::METHYLDOPA::MLS000028644::SMR000059170::cid_38853

SMILES C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O

InChI Key InChIKey=CJCSPKMFHVPWAR-JTQLQIEISA-N

Data  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 48449   

TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a(Homo sapiens (Human))
Shanghai Center For Systems Biomedicine

LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  1.20E+6nMpH: 8.05 T: 2°CAssay Description:To the wells of a 384-well polypropylene plate, 1 µL DMSO (control) or test compounds at indicated concentrations were added, followed by the ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCystathionine gamma-lyase(Homo sapiens (Human))
Shanghai Center For Systems Biomedicine

LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  3.00E+6nMpH: 7.0 T: 2°CAssay Description:500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...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
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  8.08E+3nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50: >1.00E+6nMAssay Description:Tested in vitro for dopamine(DA) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  6.42E+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))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50: >1.33E+5nMAssay 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 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  4.12E+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
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
The University Of Michigan

Curated by ChEMBL
LigandPNGBDBM48449(3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...)
Affinity DataIC50:  1.52E+8nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank