Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 722.8 BDBM50071639

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50071639 (CHEMBL79741 | [3-[2-Methoxy-4-(toluene-2-sulfonyla...) Show SMILES COc1cc(ccc1Cc1cn(C(=O)NCCCc2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C40H42N4O7S/c1-27-11-6-9-17-37(27)52(48,49)43-38(45)30-19-18-29(36(24-30)50-2)23-31-26-44(39(46)41-22-10-14-28-12-4-3-5-13-28)35-21-20-32(25-34(31)35)42-40(47)51-33-15-7-8-16-33/h3-6,9,11-13,17-21,24-26,33H,7-8,10,14-16,22-23H2,1-2H3,(H,41,46)(H,42,47)(H,43,45)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay				Bioorg Med Chem Lett 8: 2451-6 (1999) BindingDB Entry DOI: 10.7270/Q2X63M30
					More data for this Ligand-Target Pair