Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 630.6 BDBM50323898

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 (Homo sapiens (Human))	BDBM50323898 (1,1,1-trifluoro-N-(3-(((3S,4R)-4-(hydroxymethyl)-2...) Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3ccc4ccc(C)cc4n3)ccc2OC1(C)C |r| Show InChI InChI=1S/C32H33F3N2O6S/c1-19-5-6-20-7-8-23(36-28(20)13-19)18-42-24-10-12-30-25(16-24)26(17-38)27(31(2,3)43-30)15-21-14-22(9-11-29(21)41-4)37-44(39,40)32(33,34)35/h5-14,16,26-27,37-38H,15,17-18H2,1-4H3/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...				Bioorg Med Chem 18: 5519-27 (2010) Article DOI: 10.1016/j.bmc.2010.06.047 BindingDB Entry DOI: 10.7270/Q26D5TZ0
					More data for this Ligand-Target Pair