Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 381.2 BDBM50172352

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 2 (Homo sapiens (Human))	BDBM50172352 (CHEMBL3810333) Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCCCCC#N Show InChI InChI=1S/C17H14Cl2N2O4/c18-10-8-12(19)15-11(16(17(23)24)21-13(15)9-10)4-5-14(22)25-7-3-1-2-6-20/h4-5,8-9,21H,1-3,7H2,(H,23,24)/b5-4+	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
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50172352 (CHEMBL3810333) Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCCCCC#N Show InChI InChI=1S/C17H14Cl2N2O4/c18-10-8-12(19)15-11(16(17(23)24)21-13(15)9-10)4-5-14(22)25-7-3-1-2-6-20/h4-5,8-9,21H,1-3,7H2,(H,23,24)/b5-4+	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 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