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BDBM94553 (2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate::(2,2,4-trimethyl-1H-quinolin-6-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate::2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester::2-(1,3-dioxo-2-isoindolyl)propanoic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester::2-phthalimidopropionic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester::MLS000563332::SMR000176589::cid_2874907

SMILES: CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2NC(C)(C)C=C(C)c2c1

InChI Key: InChIKey=DEMJJYFBHAUQOA-UHFFFAOYSA-N

Data: 3 IC50

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 = 94553   
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94553
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxoiso...)
Show SMILES CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2NC(C)(C)C=C(C)c2c1 |t:26|
Show InChI InChI=1S/C23H22N2O4/c1-13-12-23(3,4)24-19-10-9-15(11-18(13)19)29-22(28)14(2)25-20(26)16-7-5-6-8-17(16)21(25)27/h5-12,14,24H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+4n/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-5


(Homo sapiens (Human))
BDBM94553
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxoiso...)
Show SMILES CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2NC(C)(C)C=C(C)c2c1 |t:26|
Show InChI InChI=1S/C23H22N2O4/c1-13-12-23(3,4)24-19-10-9-15(11-18(13)19)29-22(28)14(2)25-20(26)16-7-5-6-8-17(16)21(25)27/h5-12,14,24H,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.64E+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
Perilipin-1


(Homo sapiens (Human))
BDBM94553
PNG
((2,2,4-trimethyl-1H-quinolin-6-yl) 2-(1,3-dioxoiso...)
Show SMILES CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2NC(C)(C)C=C(C)c2c1 |t:26|
Show InChI InChI=1S/C23H22N2O4/c1-13-12-23(3,4)24-19-10-9-15(11-18(13)19)29-22(28)14(2)25-20(26)16-7-5-6-8-17(16)21(25)27/h5-12,14,24H,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+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