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: c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl

InChI Key: InChIKey=JCKYGMPEJWAADB-UHFFFAOYSA-N

Data: 5 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50003677   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile salt export pump (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier organic anion transporter family member 1B3 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier organic anion transporter family member 1B3 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 12 (Human)	BDBM50003677 (4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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