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BDBM50433274 CHEMBL2376321

SMILES: CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1

InChI Key: InChIKey=QBHUGPKPNMGAOH-IBGZPJMESA-N

Data: 9 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 9 hits for monomerid = 50433274   
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))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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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
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGAT3 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
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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n/an/a 63n/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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Mus musculus)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 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))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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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
Acyl-CoA wax alcohol acyltransferase 2


(Homo sapiens)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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n/an/a 25n/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
Acyl-CoA wax alcohol acyltransferase 1


(Homo sapiens)
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50433274
PNG
(CHEMBL2376321)
Show SMILES CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
PDB

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PubMed
n/an/a 25n/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