BDBM50003677 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid::4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid::4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid::Ambochlorin::CHEMBL515::CHLORAMBUCIL::Leukeran::N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid::chloraminophen::gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid::phenylbutyric acid nitrogen mustard

SMILES OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl

InChI Key InChIKey=JCKYGMPEJWAADB-UHFFFAOYSA-N

Data  5 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50003677   

TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataKi:  3.74E+4nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
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 DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
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 DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
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 DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
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
TargetCytochrome P450 2D6(Homo sapiens (Human))
University of Leicester

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataIC50:  6.51E+4nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Universit£tsmedizin G£ttingen

Curated by ChEMBL
LigandPNGBDBM50003677(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)
Affinity DataIC50:  8.07E+4nMAssay Description:Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed