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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.6
BDBM50084790
Wt: 526.6
BDBM50323882

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


(GUINEA PIG)
BDBM50084790
PNG
(4-{2-[7-(Quinolin-2-ylmethoxy)-naphthalene-2-sulfo...)
Show SMILES CC(Cc1ccc(cc1)C(O)=O)NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C30H26N2O5S/c1-20(16-21-6-8-24(9-7-21)30(33)34)32-38(35,36)28-15-12-22-11-14-27(17-25(22)18-28)37-19-26-13-10-23-4-2-3-5-29(23)31-26/h2-15,17-18,20,32H,16,19H2,1H3,(H,33,34)
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PC cid
PC sid
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PubMed
4.10n/an/an/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]-LTD4 binding assay in guinea pig lung membranes


J Med Chem 43: 392-400 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5DVX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50323882
PNG
((S)-4-(2-(7-(quinolin-2-ylmethoxy)naphthalene-2-su...)
Show SMILES C[C@@H](Cc1ccc(cc1)C(O)=O)NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 |r|
Show InChI InChI=1S/C30H26N2O5S/c1-20(16-21-6-8-24(9-7-21)30(33)34)32-38(35,36)28-15-12-22-11-14-27(17-25(22)18-28)37-19-26-13-10-23-4-2-3-5-29(23)31-26/h2-15,17-18,20,32H,16,19H2,1H3,(H,33,34)/t20-/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.10n/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