Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.4 BDBM50064069

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))	BDBM50064069 (4-Oxo-2-[4-(quinazolin-2-ylmethoxy)-phenyl]-4H-chr...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1ccc(OCc2ncc3ccccc3n2)cc1 Show InChI InChI=1S/C25H16N2O5/c28-21-12-22(32-24-18(21)5-3-6-19(24)25(29)30)15-8-10-17(11-9-15)31-14-23-26-13-16-4-1-2-7-20(16)27-23/h1-13H,14H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	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 (GUINEA PIG)	BDBM50064069 (4-Oxo-2-[4-(quinazolin-2-ylmethoxy)-phenyl]-4H-chr...) Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1ccc(OCc2ncc3ccccc3n2)cc1 Show InChI InChI=1S/C25H16N2O5/c28-21-12-22(32-24-18(21)5-3-6-19(24)25(29)30)15-8-10-17(11-9-15)31-14-23-26-13-16-4-1-2-7-20(16)27-23/h1-13H,14H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by displacement of [3H]-LTD4.				J Med Chem 41: 1428-38 (1998) Article DOI: 10.1021/jm970179x BindingDB Entry DOI: 10.7270/Q21835MZ
					More data for this Ligand-Target Pair