BDBM58922 MLS001304727::MONTELUKAST Na::SMR000469188::cid_23663996::sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate::sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate::sodium;2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate::sodium;2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate

SMILES: CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key: InChIKey=UCHDWCPVSPXUMX-UHFFFAOYSA-M

Data: 2 KI  3 IC50  1 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 6 hits for monomerid = 58922   

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
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a
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Probable nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cysteinyl leukotriene receptor 1 (Human)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
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Cysteinyl leukotriene receptor 2 (Human)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM58922 (sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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