BDBM50001285 (E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid::3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)((3-dimethylamino-3-oxopropyl)thio)methyl)thio)propanoic acid::3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(3-(dimethylamino)-3-oxopropylthio)methylthio)propanoic acid::3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-diethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid::3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid(MK-571)::3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid(MK-571, L-660711)::CHEMBL15177::L-660711::MK 571::MK-571

SMILES: CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key: InChIKey=AXUZQJFHDNNPFG-UHFFFAOYSA-N

Data: 10 KI  18 IC50  3 EC50

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 31 hits for monomerid = 50001285   

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
Cysteinyl leukotriene receptor 1 (Guinea pig)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 5 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cysteinyl leukotriene receptor 1 (Guinea pig)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Guinea pig)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Rat)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.53E+3	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)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.30E+3	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)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Guinea pig)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Human)	BDBM50001285 (3-(((3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)(...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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