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BDBM37070 4-bromanyl-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonyl-pyrazole::4-bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonyl-pyrazole::4-bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole::4-bromo-3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole::MLS000085543::SMR000020478::cid_3242673

SMILES: Cc1nn(c(C)c1Br)S(=O)(=O)c1ccc(C)c(C)c1C

InChI Key: InChIKey=RIWZECQDJDSSJE-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 = 37070   
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))
BDBM37070
PNG
(4-bromanyl-3,5-dimethyl-1-(2,3,4-trimethylphenyl)s...)
Show SMILES Cc1nn(c(C)c1Br)S(=O)(=O)c1ccc(C)c(C)c1C
Show InChI InChI=1S/C14H17BrN2O2S/c1-8-6-7-13(10(3)9(8)2)20(18,19)17-12(5)14(15)11(4)16-17/h6-7H,1-5H3
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PCBioAssay
n/an/an/an/a 8.31E+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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37070
PNG
(4-bromanyl-3,5-dimethyl-1-(2,3,4-trimethylphenyl)s...)
Show SMILES Cc1nn(c(C)c1Br)S(=O)(=O)c1ccc(C)c(C)c1C
Show InChI InChI=1S/C14H17BrN2O2S/c1-8-6-7-13(10(3)9(8)2)20(18,19)17-12(5)14(15)11(4)16-17/h6-7H,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PCBioAssay
n/an/an/an/a 8.80E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37070
PNG
(4-bromanyl-3,5-dimethyl-1-(2,3,4-trimethylphenyl)s...)
Show SMILES Cc1nn(c(C)c1Br)S(=O)(=O)c1ccc(C)c(C)c1C
Show InChI InChI=1S/C14H17BrN2O2S/c1-8-6-7-13(10(3)9(8)2)20(18,19)17-12(5)14(15)11(4)16-17/h6-7H,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.51E+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