BDBM50104838 CHEMBL3597524

SMILES: OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12

InChI Key: InChIKey=SVEIXTCDRMVORE-DTQAZKPQSA-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 = 50104838   

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
CYSLTR2 (Homo sapiens (Human))	BDBM50104838 (CHEMBL3597524) Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12 Show InChI InChI=1S/C32H32ClNO5/c33-27-10-3-7-24(20-27)6-1-2-19-39-28-17-14-23(15-18-28)13-16-25-8-4-11-29-26(9-5-12-30(35)36)21-34(32(25)29)22-31(37)38/h3-4,7-8,10-11,13-18,20-21H,1-2,5-6,9,12,19,22H2,(H,35,36)(H,37,38)/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50104838 (CHEMBL3597524) Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12 Show InChI InChI=1S/C32H32ClNO5/c33-27-10-3-7-24(20-27)6-1-2-19-39-28-17-14-23(15-18-28)13-16-25-8-4-11-29-26(9-5-12-30(35)36)21-34(32(25)29)22-31(37)38/h3-4,7-8,10-11,13-18,20-21H,1-2,5-6,9,12,19,22H2,(H,35,36)(H,37,38)/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair