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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.5
BDBM50033095

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 2


(Homo sapiens (Human))
BDBM50033095
PNG
(CHEMBL3342946)
Show SMILES CCN(CC)C(=O)\C=C(/C)c1ccc2oc(C(=O)c3ccc(cc3)C#N)c(NC(=O)C(\C#N)=C(\C)O)c2c1
Show InChI InChI=1S/C29H26N4O5/c1-5-33(6-2)25(35)13-17(3)21-11-12-24-22(14-21)26(32-29(37)23(16-31)18(4)34)28(38-24)27(36)20-9-7-19(15-30)8-10-20/h7-14,34H,5-6H2,1-4H3,(H,32,37)/b17-13+,23-18-
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...


ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50033095
PNG
(CHEMBL3342946)
Show SMILES CCN(CC)C(=O)\C=C(/C)c1ccc2oc(C(=O)c3ccc(cc3)C#N)c(NC(=O)C(\C#N)=C(\C)O)c2c1
Show InChI InChI=1S/C29H26N4O5/c1-5-33(6-2)25(35)13-17(3)21-11-12-24-22(14-21)26(32-29(37)23(16-31)18(4)34)28(38-24)27(36)20-9-7-19(15-30)8-10-20/h7-14,34H,5-6H2,1-4H3,(H,32,37)/b17-13+,23-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated ...


ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair