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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.7
BDBM50284886

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)
BDBM50284886
PNG
(CHEMBL41395 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc3cc(ccc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C34H34F3NO3S2/c1-32(2,41)26-9-4-3-7-23(26)11-13-28(42-21-33(16-17-33)20-31(39)40)24-8-5-6-22(18-24)10-15-30-38-27-19-25(34(35,36)37)12-14-29(27)43-30/h3-10,12,14-15,18-19,28,41H,11,13,16-17,20-21H2,1-2H3,(H,39,40)/b15-10+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 7.5n/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)
BDBM50284886
PNG
(CHEMBL41395 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc3cc(ccc3s2)C(F)(F)F)c1
Show InChI InChI=1S/C34H34F3NO3S2/c1-32(2,41)26-9-4-3-7-23(26)11-13-28(42-21-33(16-17-33)20-31(39)40)24-8-5-6-22(18-24)10-15-30-38-27-19-25(34(35,36)37)12-14-29(27)43-30/h3-10,12,14-15,18-19,28,41H,11,13,16-17,20-21H2,1-2H3,(H,39,40)/b15-10+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 7.5n/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