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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.7
BDBM50021023

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 1/2


(Homo sapiens (Human))
BDBM50021023
PNG
(3-{(2-Carboxy-ethylsulfanyl)-[2-(8-phenyl-octyl)-p...)
Show SMILES OC(=O)CCSC(SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1
Show InChI InChI=1S/C27H36O4S2/c28-25(29)18-20-32-27(33-21-19-26(30)31)24-17-11-10-16-23(24)15-9-4-2-1-3-6-12-22-13-7-5-8-14-22/h5,7-8,10-11,13-14,16-17,27H,1-4,6,9,12,15,18-21H2,(H,28,29)(H,30,31)
PDB

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
245n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for its ability to inhibit [3H]LTD4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


J Med Chem 29: 1442-52 (1986)


BindingDB Entry DOI: 10.7270/Q2S75JHD
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50021023
PNG
(3-{(2-Carboxy-ethylsulfanyl)-[2-(8-phenyl-octyl)-p...)
Show SMILES OC(=O)CCSC(SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1
Show InChI InChI=1S/C27H36O4S2/c28-25(29)18-20-32-27(33-21-19-26(30)31)24-17-11-10-16-23(24)15-9-4-2-1-3-6-12-22-13-7-5-8-14-22/h5,7-8,10-11,13-14,16-17,27H,1-4,6,9,12,15,18-21H2,(H,28,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
245n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding constant was determined as affinity to displace [3H]-LTD4 from Cysteinyl leukotriene D4 receptor on guinea pig lung membrane


J Med Chem 28: 1145-7 (1985)


BindingDB Entry DOI: 10.7270/Q26M35V3
More data for this
Ligand-Target Pair