BDBM155255 US10098888, Compound 105::US11642348, Compound 105::US9006242, 105

SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1

InChI Key InChIKey=ZXYWTCVDQLRSRJ-UHFFFAOYSA-N

Data  16 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 155255   

TargetCytochrome P450 1A1(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50: >1.00E+5nMpH: 7.4Assay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Affiliated Hospital Of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  58nMAssay Description:Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 levelMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  7.57E+4nMpH: 7.4Assay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  3.37E+4nMpH: 7.4Assay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  2.95E+3nMpH: 7.4Assay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  104nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  8.40nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Affiliated Hospital Of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50: <10nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50: >100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C8(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  47.4nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  75.7nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  33.6nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  9.67nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Affiliated Hospital Of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50: <10nMAssay Description:General Procedure for Wild-Type PRC2 Enzyme Assay on Oligonucleosome Substrate. The assays were performed in a buffer consisting of 20 mM bicine (pH=...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Affiliated Hospital Of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of EZH2 Y641F mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Epizyme

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US11642348, Compound 10...)
Affinity DataIC50:  4.74E+4nMpH: 7.4Assay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
In DepthDetails US Patent