BDBM50172335 CHEMBL3810210

SMILES: COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O

InChI Key: InChIKey=BCDSYHCOCSCCQZ-CCQVQAEASA-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 = 50172335   

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))	BDBM50172335 (CHEMBL3810210) Show SMILES COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O Show InChI InChI=1S/C30H22ClN3O4/c1-38-26-7-3-6-23-24(29(30(36)37)34-28(23)26)14-15-27(35)33-22-5-2-4-18(16-22)8-12-21-13-10-19-9-11-20(31)17-25(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b12-8+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+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 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))	BDBM50172335 (CHEMBL3810210) Show SMILES COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O Show InChI InChI=1S/C30H22ClN3O4/c1-38-26-7-3-6-23-24(29(30(36)37)34-28(23)26)14-15-27(35)33-22-5-2-4-18(16-22)8-12-21-13-10-19-9-11-20(31)17-25(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b12-8+,15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	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