BDBM48449 3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE::METHYLDOPA::MLS000028644::SMR000059170::US20240415800, Compound 2-5::cid_38853

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

InChI Key InChIKey=CJCSPKMFHVPWAR-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 48449   

TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetDopa decarboxylase (Aromatic L-amino acid decarboxylase), isoform CRA_a(Human)
Shanghai Center For Systems Biomedicine

LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
7/24/2014
Entry Details Article
PubMed
TargetCystathionine gamma-lyase(Human)
Shanghai Center For Systems Biomedicine

LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
7/24/2014
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
The University of Michigan

Curated by ChEMBL
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetGlutamate carboxypeptidase 2(Human)
The Johns Hopkins University

US Patent
LigandPNGBDBM48449(SMR000059170 | MLS000028644 | cid_38853 | 3-(3,4-D...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition potencies against GCPII (IC50 values) were determined using previously described methods with minor modification. Rojas et al., 2002. Brie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2025
Entry Details
Go to US Patent