BDBM50280693 CHEMBL15370::Sodium; 3-[1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-(2-nitro-phenyl)-propylsulfanyl]-2-methyl-propionate

SMILES: CC(CSC(CCc1ccccc1[N+]([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O

InChI Key: InChIKey=MGJRCOWRBIRDII-UHFFFAOYSA-M

Data: 2 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 2 hits for monomerid = 50280693   

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 1 (GUINEA PIG)	BDBM50280693 (CHEMBL15370 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...) Show SMILES CC(CSC(CCc1ccccc1[N+]([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O Show InChI InChI=1S/C29H27ClN2O5S/c1-19(29(33)34)18-38-28(14-11-21-5-2-3-8-27(21)32(35)36)22-6-4-7-25(15-22)37-17-24-13-10-20-9-12-23(30)16-26(20)31-24/h2-10,12-13,15-16,19,28H,11,14,17-18H2,1H3,(H,33,34)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2				Bioorg Med Chem Lett 2: 1141-1146 (1992) Article DOI: 10.1016/S0960-894X(00)80635-6 BindingDB Entry DOI: 10.7270/Q2D21XJR
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50280693 (CHEMBL15370 | Sodium; 3-[1-[3-(7-chloro-quinolin-2...) Show SMILES CC(CSC(CCc1ccccc1[N+]([O-])=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O Show InChI InChI=1S/C29H27ClN2O5S/c1-19(29(33)34)18-38-28(14-11-21-5-2-3-8-27(21)32(35)36)22-6-4-7-25(15-22)37-17-24-13-10-20-9-12-23(30)16-26(20)31-24/h2-10,12-13,15-16,19,28H,11,14,17-18H2,1H3,(H,33,34)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2				Bioorg Med Chem Lett 2: 1141-1146 (1992) Article DOI: 10.1016/S0960-894X(00)80635-6 BindingDB Entry DOI: 10.7270/Q2D21XJR
					More data for this Ligand-Target Pair