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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Estradiol receptor beta (ERβ) (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DOPA decarboxylase (DDC) (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+6 | n/a | n/a | n/a | n/a | 8.05 | 37 |
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology | Assay 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... | ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cystathionine gamma-lyase (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology | Assay 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... | ACS Chem Biol 9: 897-903 (2014) Article DOI: 10.1021/cb500009r BindingDB Entry DOI: 10.7270/Q2S75F0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oligopeptide transporter small intestine isoform (Homo sapiens (Human)) | BDBM48449 (3-(3,4-DIHYDROXYPHENYL)-2-METHYL-L-ALANINE | METHY...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.52E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Michigan Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells | J Pharm Sci 88: 347-50 (1999) Article DOI: 10.1021/js980132e BindingDB Entry DOI: 10.7270/Q22V2H6H | |||||||||||
More data for this Ligand-Target Pair |