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SMILES: CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12

InChI Key: InChIKey=JVWIAEWOATZGMQ-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 8 hits for monomerid = 48194   
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
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/an/an/a 4.20E+4n/an/an/an/a



Sanford-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, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/a 5.40E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/a 1.20E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Perilipin-5


(Homo sapiens (Human))
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
KEGG

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n/an/a 2.20E+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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/a 6.32E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
PDB
MMDB

NCI pathway
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KEGG

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n/an/a 9.33E+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))
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/a 1.72E+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
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM48194
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyr...)
Show SMILES CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
Show InChI InChI=1S/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
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n/an/a>8.00E+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, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair