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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4
BDBM50013564

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)
BDBM50013564
PNG
(2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-vinyl}-pheno...)
Show SMILES C(Oc1cccc(\C=C\c2cccc(c2)-c2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H19N5O/c1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25/h1-16H,17H2,(H,27,28,29,30)/b12-11+
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.5n/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