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BDBM31035 4-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::MLS000116045::SMR000093032::cid_3154442::ethyl 4-[3-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES: CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1

InChI Key: InChIKey=FUDKKBFANBSPIG-UHFFFAOYSA-N

Data: 3 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31035   
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))
BDBM31035
PNG
(4-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C23H25N3O6/c1-4-31-22(28)20-14(2)24-23(29)26-21(20)15-10-11-17(18(12-15)30-3)32-13-19(27)25-16-8-6-5-7-9-16/h5-12,20-21H,4,13H2,1-3H3,(H,25,27)(H,26,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a 5.00E+4n/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/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31035
PNG
(4-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C23H25N3O6/c1-4-31-22(28)20-14(2)24-23(29)26-21(20)15-10-11-17(18(12-15)30-3)32-13-19(27)25-16-8-6-5-7-9-16/h5-12,20-21H,4,13H2,1-3H3,(H,25,27)(H,26,29)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31035
PNG
(4-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-2...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
Show InChI InChI=1S/C23H25N3O6/c1-4-31-22(28)20-14(2)24-23(29)26-21(20)15-10-11-17(18(12-15)30-3)32-13-19(27)25-16-8-6-5-7-9-16/h5-12,20-21H,4,13H2,1-3H3,(H,25,27)(H,26,29)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair