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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 583.8
BDBM50069371

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))
BDBM50069371
PNG
((1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCC(C)(C)c3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.75n/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
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50069371
PNG
((1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCC(C)(C)c3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60n/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))
BDBM50069371
PNG
((1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCC(C)(C)c3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5n/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