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 c1cc(ccc1C[C@@H](C(=O)O)N)N(CCCl)CCCl

InChI Key InChIKey=SGDBTWWWUNNDEQ-UHFFFAOYSA-N

Data  1 KI  5 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 6 hits for monomerid = 50025837   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
Affinity DataIC50: 9.38E+4nMAssay 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
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
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 Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
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
TargetLarge neutral amino acids transporter small subunit 1(Rat)
University of Kentucky

Curated by ChEMBL
LigandPNGBDBM50025837(CHEMBL852 | 2-amino-3-[4-bis(2-chloroethyl)amino]p...)
Affinity DataKi:  5.50E+4nMAssay Description:Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed