BDBM276748 US10071992, Example 3.5::US10071992, Example 5::US11034678, Example 5

SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO

InChI Key InChIKey=XQHIDECQDHTFCG-UHFFFAOYSA-N

Data  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 276748   

TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  14nMpH: 7.4 T: 2°CAssay Description:For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP2D6 in pooled human liver microsomes using dextrorphan as substrate incubated for 14 mins in presence of NADPH by HPLC-MS...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  14nMpH: 7.4 T: 2°CAssay Description:For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  14nMAssay Description:For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  14nMAssay Description:For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  6.60nMAssay Description:Inhibition of human DGAT2 expressed in Sf9 insect cell membrane using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of mouse MGAT1 using [1-14C]decanoyl-CoA and 2-oleoylglycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacylglycer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human MGAT2 using [1-14C]decanoyl-CoA and 1-decanoyl-rac-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human MGAT3 using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetDiacylglycerol O-acyltransferase 1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human DGAT1 using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP1A2 in pooled human liver microsomes using acetaminophen as substrate incubated for 20 mins in presence of NADPH by HPLC-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP1A2 in pooled human liver microsomes using acetaminophen as substrate incubated for 20 mins in presence of NADPH by HPLC-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4/3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP3A4/5 in pooled human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >2.40E+4nMAssay Description:Reversible inhibition of CYP2B6 in pooled human liver microsomesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP2C8 in pooled human liver microsomes using desethylamodiaquine as substrate incubated for 10 mins in presence of NADPH by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  7.80E+3nMAssay Description:Reversible inhibition of CYP2C9 in pooled human liver microsomes using 4-Hydroxydiclofenac as substrate incubated for 10 mins in presence of NADPH by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens)
Pfizer

Curated by ChEMBL
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50: >3.00E+4nMAssay Description:Reversible inhibition of CYP2C19 in pooled human liver microsomes using 4-Hydroxymephenytoin as substrate incubated for 20 mins in presence of NADPH ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetDiacylglycerol O-acyltransferase 2(Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM276748(US10071992, Example 3.5 | US10071992, Example 5 | ...)
Affinity DataIC50:  238nMpH: 7.4 T: 2°CAssay Description:For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent