Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 675.7 BDBM50071636

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)	BDBM50071636 (CHEMBL79479 | {1-(2-Dimethylamino-ethylcarbamoyl)-...) Show SMILES COc1cc(ccc1Cc1cn(C(=O)NCCN(C)C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C35H41N5O7S/c1-23-9-5-8-12-32(23)48(44,45)38-33(41)25-14-13-24(31(20-25)46-4)19-26-22-40(34(42)36-17-18-39(2)3)30-16-15-27(21-29(26)30)37-35(43)47-28-10-6-7-11-28/h5,8-9,12-16,20-22,28H,6-7,10-11,17-19H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)	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