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BDBM37078 5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)isoxazole-3-carboxamide::5-(2-methoxyphenyl)-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide::5-(2-methoxyphenyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-1,2-oxazole-3-carboxamide::5-(2-methoxyphenyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)isoxazole-3-carboxamide::5-(2-methoxyphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide::MLS000087112::SMR000023335::cid_3243394

SMILES: COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1

InChI Key: InChIKey=JZRACMMNONVYRT-UHFFFAOYSA-N

Data: 2 IC50  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 5 hits for monomerid = 37078   
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


(Homo sapiens (Human))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
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Similars

n/an/an/an/a 5.77E+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


(Homo sapiens (Human))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
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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
Thrombin


(Bos taurus (Bovine))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
PDB

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Similars

n/an/an/an/a 4.70E+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