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BDBM37340 MLS000116372::N,N-dicyclohexyl-5-propyl-1,2-oxazole-3-carboxamide::N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide::N,N-dicyclohexyl-5-propyl-isoxazole-3-carboxamide::SMR000093349::cid_5309153

SMILES: CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1

InChI Key: InChIKey=XTUSMJNHGPASSE-UHFFFAOYSA-N

Data: 3 IC50  5 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 8 hits for monomerid = 37340   
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 3


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a 2.70E+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 Networ...


PubChem Bioassay (2007)


Article DOI: 10.1074/jbc.M112.419069
BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/a 1.89E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a 434n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay


Bioorg Med Chem Lett 23: 6346-9 (2013)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
PDB

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B.MOAD
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PubMed
n/an/an/an/a 7.87E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at S1P4 receptor (unknown origin)


Bioorg Med Chem Lett 23: 6346-9 (2013)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM37340
PNG
(MLS000116372 | N,N-dicyclohexyl-5-propyl-1,2-oxazo...)
Show SMILES CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-2-9-17-14-18(20-23-17)19(22)21(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h14-16H,2-13H2,1H3
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PC cid
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PCBioAssay
n/an/a 1.04E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair