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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 545.6
BDBM50069368

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))
BDBM50069368
PNG
((R)-6-(3-(1-((1-(carboxymethyl)cyclopropyl)methylt...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C32H35NO5S/c1-31(2,38)27-9-4-3-7-23(27)12-15-28(39-21-32(16-17-32)19-29(34)35)24-8-5-6-22(18-24)10-13-26-14-11-25(20-33-26)30(36)37/h3-11,13-14,18,20,28,38H,12,15-17,19,21H2,1-2H3,(H,34,35)(H,36,37)/b13-10+/t28-/m1/s1
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Similars

Article
PubMed
n/an/a 421n/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))
BDBM50069368
PNG
((R)-6-(3-(1-((1-(carboxymethyl)cyclopropyl)methylt...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C32H35NO5S/c1-31(2,38)27-9-4-3-7-23(27)12-15-28(39-21-32(16-17-32)19-29(34)35)24-8-5-6-22(18-24)10-13-26-14-11-25(20-33-26)30(36)37/h3-11,13-14,18,20,28,38H,12,15-17,19,21H2,1-2H3,(H,34,35)(H,36,37)/b13-10+/t28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 421n/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