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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 501.6
BDBM50069363

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))
BDBM50069363
PNG
((1-{(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccccn2)c1
Show InChI InChI=1S/C31H35NO3S/c1-30(2,35)27-12-4-3-9-24(27)14-16-28(36-22-31(17-18-31)21-29(33)34)25-10-7-8-23(20-25)13-15-26-11-5-6-19-32-26/h3-13,15,19-20,28,35H,14,16-18,21-22H2,1-2H3,(H,33,34)/b15-13+/t28-/m1/s1
PDB

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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)


Article DOI: 10.1016/j.bmc.2010.06.047
BindingDB Entry DOI: 10.7270/Q26D5TZ0
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50069363
PNG
((1-{(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccccn2)c1
Show InChI InChI=1S/C31H35NO3S/c1-30(2,35)27-12-4-3-9-24(27)14-16-28(36-22-31(17-18-31)21-29(33)34)25-10-7-8-23(20-25)13-15-26-11-5-6-19-32-26/h3-13,15,19-20,28,35H,14,16-18,21-22H2,1-2H3,(H,33,34)/b15-13+/t28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 194n/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