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BDBM50344170 2-((7R)-7-(N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1778508

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCc2ccccc12

InChI Key: InChIKey=NCHMLYQLIKIWRI-ITUIMRKVSA-N

Data: 1 KI  1 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 = 50344170   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344170
PNG
(2-((7R)-7-(N-methyl-1,2,3,4-tetrahydronaphthalene-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-5,7,9-10,12,18,21H,6,8,11,13-16H2,1H3,(H,29,30)/t18-,21?/m1/s1
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Article
PubMed
110n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344170
PNG
(2-((7R)-7-(N-methyl-1,2,3,4-tetrahydronaphthalene-...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCCc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-27(26(31)21-11-6-8-17-7-2-3-9-19(17)21)18-13-14-24-22(15-25(29)30)20-10-4-5-12-23(20)28(24)16-18/h2-5,7,9-10,12,18,21H,6,8,11,13-16H2,1H3,(H,29,30)/t18-,21?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair