BDBM50172350 CHEMBL3810142

SMILES: Clc1ccc2ccc(\C=C\c3cccc(COC(=O)\C=C\c4c[nH]c5cc(Cl)cc(Cl)c45)c3)nc2c1

InChI Key: InChIKey=HFXNFYJSMCRIAG-BFFNUNQPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50172350   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor (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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q27D2X19
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (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	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) BindingDB Entry DOI: 10.7270/Q27D2X19
					More data for this Ligand-Target Pair