Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.3 BDBM50013526

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

Found 3 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 (GUINEA PIG)	BDBM50013526 (2-(3-Butoxy-phenoxymethyl)-quinoline | CHEMBL18775) Show SMILES CCCCOc1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)				J Med Chem 33: 1186-94 (1990) BindingDB Entry DOI: 10.7270/Q2TB15WM
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50013526 (2-(3-Butoxy-phenoxymethyl)-quinoline | CHEMBL18775) Show SMILES CCCCOc1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description Compound was evaluated for inhibition against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor				J Med Chem 33: 1186-94 (1990) BindingDB Entry DOI: 10.7270/Q2TB15WM
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50013526 (2-(3-Butoxy-phenoxymethyl)-quinoline | CHEMBL18775) Show SMILES CCCCOc1cccc(OCc2ccc3ccccc3n2)c1 Show InChI InChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01078 BindingDB Entry DOI: 10.7270/Q2T72NGC
					More data for this Ligand-Target Pair