BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.7
BDBM50069357

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

Found 3 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 1/2


(Homo sapiens (Human))
BDBM50069357
PNG
(CHEMBL141640 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.580n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).


Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50069357
PNG
(CHEMBL141640 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranes


Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50069357
PNG
(CHEMBL141640 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).


Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair