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BDBM50090510 CHEMBL3581716

InChI string: InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)

SMILES: CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F

InChI Key: InChIKey=XVSKYVJHKGLQMZ-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 = 50090510   
Target
(Institution)
LigandTarget
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
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
KEGG

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PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human ACAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human DGAT2 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)

More data for this
Ligand-Target Pair
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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antibodypedia
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PubMed
n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay


J Med Chem 58: 3892-909 (2015)

More data for this
Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase


(Homo sapiens)
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human MGAT3 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (human))
BDBM50090510
PNG
(CHEMBL3581716)
Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of full length human DGAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...


J Med Chem 58: 3892-909 (2015)

More data for this
Ligand-Target Pair