BDBM50104916 CHEMBL3597629

SMILES Cc1c(CCCC(O)=O)c2cc(F)cc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O

InChI Key InChIKey=ADVWQSAFRXRCRX-UHFFFAOYSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104916   

TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104916(CHEMBL3597629)
Show SMILES Cc1c(CCCC(O)=O)c2cc(F)cc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-33(24)37)8-3-4-21-44-30-18-15-26(16-19-30)14-17-28-22-29(38)23-32-31(10-6-12-34(40)41)25(2)39(36(28)32)20-7-13-35(42)43/h5,9,11,15-16,18-19,22-23H,3-4,6-8,10,12-13,20-21H2,1-2H3,(H,40,41)(H,42,43)
Affinity DataIC50: 31nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104916(CHEMBL3597629)
Show SMILES Cc1c(CCCC(O)=O)c2cc(F)cc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-33(24)37)8-3-4-21-44-30-18-15-26(16-19-30)14-17-28-22-29(38)23-32-31(10-6-12-34(40)41)25(2)39(36(28)32)20-7-13-35(42)43/h5,9,11,15-16,18-19,22-23H,3-4,6-8,10,12-13,20-21H2,1-2H3,(H,40,41)(H,42,43)
Affinity DataIC50: 16nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair