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BDBM37264 3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyrazole::MLS000106125::SMR000103095::cid_2058969

SMILES: Cc1n[nH]c(C)c1CCCCOc1ccccc1C

InChI Key: InChIKey=DZCFNBAWAYRPRG-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 = 37264   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
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PC sid
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PCBioAssay
n/an/an/an/a 6.51E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
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UniChem

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PCBioAssay
n/an/an/an/a 6.74E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37264
PNG
(3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...)
Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C
Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair