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BDBM50433271 CHEMBL2376327

SMILES: CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl

InChI Key: InChIKey=NFKXWXGBYYQURZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50433271   
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 2


(Homo sapiens (human))
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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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
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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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)
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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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
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 63n/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
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM50433271
PNG
(CHEMBL2376327)
Show SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14)16(23)21-18)27(25,26)22-15-7-5-4-6-13(15)19/h4-10,22H,3H2,1-2H3,(H,20,24)(H,21,23)
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PC sid
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Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT1 expressed in insect cell membrane using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to...


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