BDBM50025837 (S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid::(S)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid::2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid::2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid (melphalan)::2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid(L-PAM)::2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-propionic acid(Melphalan)::2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid::2-amino-3-[4-bis(2-chloroethyl)amino]phenylpropanoic acid::3-(p-(bis(2-chloroethyl)amino)phenyl)-L-alanine::Alanine Nitrogen Mustard::Alkeran::CB-3025::CHEMBL852::L-Sarcolysin::MELPHALAN::Melfalan::Phenylalanine Mustard
SMILES: N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O
InChI Key: InChIKey=SGDBTWWWUNNDEQ-LBPRGKRZSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
L-type amino acid transporter 1 (Rattus norvegicus) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Inhibition of LAT1-mediated L-[14C]-leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting | Bioorg Med Chem Lett 20: 3688-91 (2010) Article DOI: 10.1016/j.bmcl.2010.04.086 BindingDB Entry DOI: 10.7270/Q2HM58MR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank 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)) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank 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 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 | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank 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 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)) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | 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)) | BDBM50025837 ((S)-2-Amino-3-{4-[bis-(2-chloro-ethyl)-amino]-phen...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank 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 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 |