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BDBM37112 MLS000099936::N-(2-cyclohexyl-1,3-diketo-isoindolin-5-yl)propionamide::N-(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide::N-(2-cyclohexyl-1,3-dioxo-5-isoindolyl)propanamide::N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide::N-[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]propanamide::SMR000081105::cid_2227998

SMILES: CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1

InChI Key: InChIKey=PKJLQNZKQMNHAM-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 = 37112   
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))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
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Article
PCBioAssay
n/an/an/an/a 5.80E+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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
PDB

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KEGG

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Article
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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair