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BDBM50172344 CHEMBL3810290

SMILES: OC(=O)c1[nH]c2cccc(Cl)c2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key: InChIKey=MWXMAJKVAJYUSQ-GYZZCKOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50172344   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50172344
PNG
(CHEMBL3810290)
Show SMILES OC(=O)c1[nH]c2cccc(Cl)c2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H19Cl2N3O3/c30-19-10-8-18-9-12-20(32-25(18)16-19)11-7-17-3-1-4-21(15-17)33-26(35)14-13-22-27-23(31)5-2-6-24(27)34-28(22)29(36)37/h1-16,34H,(H,33,35)(H,36,37)/b11-7+,14-13+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...


ACS Med Chem Lett 7: 335-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00482
BindingDB Entry DOI: 10.7270/Q27D2X19
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50172344
PNG
(CHEMBL3810290)
Show SMILES OC(=O)c1[nH]c2cccc(Cl)c2c1\C=C\C(=O)Nc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H19Cl2N3O3/c30-19-10-8-18-9-12-20(32-25(18)16-19)11-7-17-3-1-4-21(15-17)33-26(35)14-13-22-27-23(31)5-2-6-24(27)34-28(22)29(36)37/h1-16,34H,(H,33,35)(H,36,37)/b11-7+,14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...


ACS Med Chem Lett 7: 335-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00482
BindingDB Entry DOI: 10.7270/Q27D2X19
More data for this
Ligand-Target Pair