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BDBM31065 2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate::2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate::2-methoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate::3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester::4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester::MLS000090902::SMR000025505::cid_3239810

SMILES: COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1

InChI Key: InChIKey=AQLXIJYAVMSMFH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 31065   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM31065
PNG
(2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
Show InChI InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
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Similars

n/an/a 4.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31065
PNG
(2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
Show InChI InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
NCI pathway
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31065
PNG
(2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
Show InChI InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
Reactome pathway
KEGG

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PC sid
UniChem

Similars

n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair