BDBM50104908 CHEMBL3597621

SMILES: Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O

InChI Key: InChIKey=FXHVWKSLLGLWNF-UHFFFAOYSA-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 = 50104908   

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))	BDBM50104908 (CHEMBL3597621) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-13-32(24)36)8-3-4-23-42-29-19-16-26(17-20-29)15-18-28-10-5-12-31-30(11-7-14-33(38)39)25(2)37(35(28)31)22-21-34(40)41/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-23H2,1-2H3,(H,38,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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))	BDBM50104908 (CHEMBL3597621) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-13-32(24)36)8-3-4-23-42-29-19-16-26(17-20-29)15-18-28-10-5-12-31-30(11-7-14-33(38)39)25(2)37(35(28)31)22-21-34(40)41/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-23H2,1-2H3,(H,38,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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