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BDBM50344169 2-((7R)-7-(N-methyl-2,3-dihydro-1H-indene-1-carboxamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1778507

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCc2ccccc12

InChI Key: InChIKey=UCCMVFFQDOSLQJ-DIAVIDTQSA-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 = 50344169   
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))
BDBM50344169
PNG
(2-((7R)-7-(N-methyl-2,3-dihydro-1H-indene-1-carbox...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCc2ccccc12 |r|
Show InChI InChI=1S/C25H26N2O3/c1-26(25(30)20-12-10-16-6-2-3-7-18(16)20)17-11-13-23-21(14-24(28)29)19-8-4-5-9-22(19)27(23)15-17/h2-9,17,20H,10-15H2,1H3,(H,28,29)/t17-,20?/m1/s1
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PC sid
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Similars

Article
PubMed
670n/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))
BDBM50344169
PNG
(2-((7R)-7-(N-methyl-2,3-dihydro-1H-indene-1-carbox...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1CCc2ccccc12 |r|
Show InChI InChI=1S/C25H26N2O3/c1-26(25(30)20-12-10-16-6-2-3-7-18(16)20)17-11-13-23-21(14-24(28)29)19-8-4-5-9-22(19)27(23)15-17/h2-9,17,20H,10-15H2,1H3,(H,28,29)/t17-,20?/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 810n/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