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BDBM31073 2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide::2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidino-s-triazin-2-yl]oxy]ethyl]acetamide::2-[2,4-bis(chloranyl)phenoxy]-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]ethanamide::MLS000088310::SMR000072558::cid_2188965

SMILES: CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1

InChI Key: InChIKey=WMQKVXGIPAPYSQ-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 = 31073   
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))
BDBM31073
PNG
(2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6...)
Show SMILES CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
Show InChI InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
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PCBioAssay
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))
BDBM31073
PNG
(2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6...)
Show SMILES CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
Show InChI InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
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PCBioAssay
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)
BDBM31073
PNG
(2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6...)
Show SMILES CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
Show InChI InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
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