Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 626.6 BDBM50323899

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))	BDBM50323899 (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(\C=C\c3ccc4ccc(C)cc4n3)ccc2OC1(C)C |r| Show InChI InChI=1S/C33H33F3N2O5S/c1-20-5-8-22-9-11-24(37-29(22)15-20)10-6-21-7-13-31-26(16-21)27(19-39)28(32(2,3)43-31)18-23-17-25(12-14-30(23)42-4)38-44(40,41)33(34,35)36/h5-17,27-28,38-39H,18-19H2,1-4H3/b10-6+/t27-,28-/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	5	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