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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.4
BDBM50013543

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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)
BDBM50013543
PNG
(2-{3-[2-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethy...)
Show SMILES C(Oc1cccc(OCc2ccccc2-c2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H19N5O2/c1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19/h1-14H,15-16H2,(H,26,27,28,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
20n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)


J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair