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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 563.8
BDBM50284897

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)
BDBM50284897
PNG
(CHEMBL40992 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)c1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)sc1C
Show InChI InChI=1S/C33H41NO3S2/c1-22(2)31-23(3)39-29(34-31)16-13-24-9-8-11-26(19-24)28(38-21-33(17-18-33)20-30(35)36)15-14-25-10-6-7-12-27(25)32(4,5)37/h6-13,16,19,22,28,37H,14-15,17-18,20-21H2,1-5H3,(H,35,36)/b16-13+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 12.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284897
PNG
(CHEMBL40992 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)c1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)sc1C
Show InChI InChI=1S/C33H41NO3S2/c1-22(2)31-23(3)39-29(34-31)16-13-24-9-8-11-26(19-24)28(38-21-33(17-18-33)20-30(35)36)15-14-25-10-6-7-12-27(25)32(4,5)37/h6-13,16,19,22,28,37H,14-15,17-18,20-21H2,1-5H3,(H,35,36)/b16-13+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair