Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 533.8 BDBM50172350

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))	BDBM50172350 (CHEMBL3810142) Show SMILES Clc1ccc2ccc(\C=C\c3cccc(COC(=O)\C=C\c4c[nH]c5cc(Cl)cc(Cl)c45)c3)nc2c1 Show InChI InChI=1S/C29H19Cl3N2O2/c30-22-8-5-20-6-10-24(34-26(20)14-22)9-4-18-2-1-3-19(12-18)17-36-28(35)11-7-21-16-33-27-15-23(31)13-25(32)29(21)27/h1-16,33H,17H2/b9-4+,11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...				ACS Med Chem Lett 7: 335-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00482 BindingDB Entry DOI: 10.7270/Q27D2X19
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50172350 (CHEMBL3810142) Show SMILES Clc1ccc2ccc(\C=C\c3cccc(COC(=O)\C=C\c4c[nH]c5cc(Cl)cc(Cl)c45)c3)nc2c1 Show InChI InChI=1S/C29H19Cl3N2O2/c30-22-8-5-20-6-10-24(34-26(20)14-22)9-4-18-2-1-3-19(12-18)17-36-28(35)11-7-21-16-33-27-15-23(31)13-25(32)29(21)27/h1-16,33H,17H2/b9-4+,11-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...				ACS Med Chem Lett 7: 335-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00482 BindingDB Entry DOI: 10.7270/Q27D2X19
					More data for this Ligand-Target Pair