BDBM155253 US10098888, Compound 1::US9006242, 1

SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1

InChI Key InChIKey=YAYHRYAVXZWUIJ-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 155253   

TargetCytochrome P450 1A1(Human)
Epizyme

US Patent
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 8.96E+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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Epizyme

US Patent
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 2.29E+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 Depth
Date in BDB:
10/26/2015
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 77nMAssay 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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 5nMAssay 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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
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
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 89.6nMAssay 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 Depth
Date in BDB:
2/18/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Epizyme

US Patent
LigandPNGBDBM155253(US9006242, 1 | US10098888, Compound 1)
Affinity DataIC50: 22.9nMAssay 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