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BDBM50433279 CHEMBL2376311

SMILES: CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1

InChI Key: InChIKey=NQSMOCNVMGUHFS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50433279   
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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells using dioleoyl-sn-glycerol and [14C]oleoyl coenzyme A as substrate after 30 mins by liqu...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins b...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT2 using dioleoyl-sn-glycerol and [14C]oleoyl coenzyme A as substrate after 30 mins by liquid scintillation counti...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens (Human))
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 ...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair
Acyl-CoA wax alcohol acyltransferase 2


(Homo sapiens (Human))
BDBM50433279
PNG
(CHEMBL2376311)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16)17(23)21-19)27(25,26)22(3)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H,20,24)(H,21,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mi...


Bioorg Med Chem Lett 23: 2721-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.084
BindingDB Entry DOI: 10.7270/Q2GB25DM
More data for this
Ligand-Target Pair