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BDBM31027 1-[[5-[[butyl(ethyl)amino]methyl]-2-furanyl]methyl]-3-(2,4-dimethoxyphenyl)urea::1-[[5-[[butyl(ethyl)amino]methyl]-2-furyl]methyl]-3-(2,4-dimethoxyphenyl)urea::1-[[5-[[butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(2,4-dimethoxyphenyl)urea::MLS000046660::N-[(5-{[butyl(ethyl)amino]methyl}-2-furyl)methyl]-N'-(2,4-dimethoxyphenyl)urea::SMR000032671::cid_3240509

SMILES: CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1

InChI Key: InChIKey=HALNSYITXIPKLZ-UHFFFAOYSA-N

Data: 3 EC50

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 = 31027   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM31027
PNG
(1-[[5-[[butyl(ethyl)amino]methyl]-2-furanyl]methyl...)
Show SMILES CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
Show InChI InChI=1S/C21H31N3O4/c1-5-7-12-24(6-2)15-18-9-8-17(28-18)14-22-21(25)23-19-11-10-16(26-3)13-20(19)27-4/h8-11,13H,5-7,12,14-15H2,1-4H3,(H2,22,23,25)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
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))
BDBM31027
PNG
(1-[[5-[[butyl(ethyl)amino]methyl]-2-furanyl]methyl...)
Show SMILES CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
Show InChI InChI=1S/C21H31N3O4/c1-5-7-12-24(6-2)15-18-9-8-17(28-18)14-22-21(25)23-19-11-10-16(26-3)13-20(19)27-4/h8-11,13H,5-7,12,14-15H2,1-4H3,(H2,22,23,25)
NCI pathway
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KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
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))
BDBM31027
PNG
(1-[[5-[[butyl(ethyl)amino]methyl]-2-furanyl]methyl...)
Show SMILES CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
Show InChI InChI=1S/C21H31N3O4/c1-5-7-12-24(6-2)15-18-9-8-17(28-18)14-22-21(25)23-19-11-10-16(26-3)13-20(19)27-4/h8-11,13H,5-7,12,14-15H2,1-4H3,(H2,22,23,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.83E+3n/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