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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 611.6
BDBM50071634

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)
BDBM50071634
PNG
(CHEMBL78140 | {1-Difluoromethyl-3-[2-methoxy-4-(to...)
Show SMILES COc1cc(ccc1Cc1cn(C(F)F)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H31F2N3O6S/c1-19-7-3-6-10-28(19)43(39,40)35-29(37)21-12-11-20(27(16-21)41-2)15-22-18-36(30(32)33)26-14-13-23(17-25(22)26)34-31(38)42-24-8-4-5-9-24/h3,6-7,10-14,16-18,24,30H,4-5,8-9,15H2,1-2H3,(H,34,38)(H,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene D4 receptor in [3H]-LTD4 binding assay


Bioorg Med Chem Lett 8: 2451-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X63M30
More data for this
Ligand-Target Pair