BDBM50239015 CHEBI:6993::MK-476::MONTELUKAST SODIUM::Montelukast Sodium::Singulair

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

InChI Key: InChIKey=LBFBRXGCXUHRJY-HKHDRNBDSA-M

Data: 1 IC50

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 1 hit for monomerid = 50239015   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50239015 (CHEBI:6993 | MK-476 | MONTELUKAST SODIUM | Montelu...) Show SMILES [Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r| Show InChI InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of cysteinyl leukotriene receptor 1 (unknown origin) expressed in HEK293 cell membranes after 45 mins by scintillation spectrometry				J Med Chem 60: 5235-5266 (2017) Article DOI: 10.1021/acs.jmedchem.6b01287 BindingDB Entry DOI: 10.7270/Q2T43WDQ
					More data for this Ligand-Target Pair