Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.4 BDBM50057255

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

Found 2 hits 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))	BDBM50057255 (4-Hydroxy-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-...) Show SMILES Oc1ccc(cc1C(=O)\C=C\c1cccc(\C=C\c2ccc3ccccc3n2)c1)C#N Show InChI InChI=1S/C27H18N2O2/c28-18-21-10-15-27(31)24(17-21)26(30)14-9-20-5-3-4-19(16-20)8-12-23-13-11-22-6-1-2-7-25(22)29-23/h1-17,31H/b12-8+,14-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	346	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
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50057255 (4-Hydroxy-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-...) Show SMILES Oc1ccc(cc1C(=O)\C=C\c1cccc(\C=C\c2ccc3ccccc3n2)c1)C#N Show InChI InChI=1S/C27H18N2O2/c28-18-21-10-15-27(31)24(17-21)26(30)14-9-20-5-3-4-19(16-20)8-12-23-13-11-22-6-1-2-7-25(22)29-23/h1-17,31H/b12-8+,14-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes				J Med Chem 40: 1075-89 (1997) Article DOI: 10.1021/jm960628d BindingDB Entry DOI: 10.7270/Q25141XJ
					More data for this Ligand-Target Pair