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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.0
BDBM50104907

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104907
PNG
(CHEMBL3597620)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(8-6-11-31(23)35)7-3-4-22-41-28-16-13-25(14-17-28)12-15-27-9-5-10-30-29(18-19-32(37)38)24(2)36(34(27)30)21-20-33(39)40/h5-6,8-11,13-14,16-17H,3-4,7,18-22H2,1-2H3,(H,37,38)(H,39,40)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/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)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50104907
PNG
(CHEMBL3597620)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(8-6-11-31(23)35)7-3-4-22-41-28-16-13-25(14-17-28)12-15-27-9-5-10-30-29(18-19-32(37)38)24(2)36(34(27)30)21-20-33(39)40/h5-6,8-11,13-14,16-17H,3-4,7,18-22H2,1-2H3,(H,37,38)(H,39,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/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)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair