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BDBM50064072 4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chromene-8-carboxylic acid::4-oxo-2-(3-(quinolin-2-ylmethoxy)phenyl)-4H-chromene-8-carboxylic acid::CHEMBL33871

SMILES: OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1

InChI Key: InChIKey=KHHUBZJYSQUQNW-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50064072   
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 1


(GUINEA PIG)
BDBM50064072
PNG
(4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chrom...)
Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)
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PC sid
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Article
PubMed
n/an/an/a 17n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by displacement of [3H]-LTD4.


J Med Chem 41: 1428-38 (1998)


Article DOI: 10.1021/jm970179x
BindingDB Entry DOI: 10.7270/Q21835MZ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50064072
PNG
(4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chrom...)
Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)
PDB

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PC sid
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)


Article DOI: 10.1016/j.bmc.2010.06.047
BindingDB Entry DOI: 10.7270/Q26D5TZ0
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50064072
PNG
(4-Oxo-2-[3-(quinolin-2-ylmethoxy)-phenyl]-4H-chrom...)
Show SMILES OC(=O)c1cccc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand


J Med Chem 41: 1439-45 (1998)


Article DOI: 10.1021/jm970180w
BindingDB Entry DOI: 10.7270/Q2WH2P4P
More data for this
Ligand-Target Pair