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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.0
BDBM50013919
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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)
BDBM50013919
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
Show SMILES CN(C)C(=O)CCS[C@@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.770n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane


J Med Chem 33: 2841-5 (1990)


BindingDB Entry DOI: 10.7270/Q25M64QQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50013919
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
Show SMILES CN(C)C(=O)CCS[C@@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane


J Med Chem 33: 2841-5 (1990)


BindingDB Entry DOI: 10.7270/Q25M64QQ
More data for this
Ligand-Target Pair