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SMILES: CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12

InChI Key: InChIKey=KHWYKLGSCKHCET-UHFFFAOYSA-N

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 6 hits for monomerid = 37234   
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))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
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n/an/an/an/a 1.10E+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))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
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n/an/an/an/a 4.43E+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/Q25X2795
More data for this
Ligand-Target Pair
Perilipin-5


(Homo sapiens (Human))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
PDB
MMDB

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n/an/a 3.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
Perilipin-1


(Homo sapiens (Human))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37234
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carb...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-10-18(2,3)20-16-7-6-14(9-15(12)16)22-17(21)13-5-4-8-19-11-13/h4-11,20H,1-3H3
PDB

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UniChem

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PCBioAssay
n/an/an/an/a 1.14E+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