BDBM155254 US10098888, Compound 2::US9006242, 2

SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1

InChI Key InChIKey=XQFINGFCBFHOPE-UHFFFAOYSA-N

Data  1 KI  14 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 15 hits for monomerid = 155254   

TargetCytochrome P450 1A1(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2C8(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetHistone H3.1 [22-45](Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
Affinity DataIC50: 110nMAssay 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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetHistone H3.1 [22-45](Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
Affinity DataIC50: 15nMAssay 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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C8(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Epizyme

US Patent
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetHistone-lysine N-methyltransferase EZH2(Human)
Affiliated Hospital of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
Affinity DataIC50: 15nMAssay Description:Inhibition of EZH2 Y641F mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Affiliated Hospital of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
Affinity DataIC50: 110nMAssay Description:Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Affiliated Hospital of Guangdong Medical University

Curated by ChEMBL
LigandPNGBDBM155254(US9006242, 2 | US10098888, Compound 2)
Affinity DataKi: <3nMAssay Description:Inhibition of EZH2 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed