BDBM50582885 CHEMBL5091591

SMILES Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F

InChI Key InChIKey=ZLVKIBLQXFILMA-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50582885   

TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 8nMAssay Description:Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 23nMAssay Description:Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C19(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (s)-Mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using Bupropion as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using Paclitaxel as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using Tolbutamide as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using Midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of hERG (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 8nMAssay Description:Inhibition of SETD2 (1434 to 1711 residues) (unknown origin) using SAM and biotin-Ahx-RKSAPATGGVKKPHR-NH2 as substrate preincubated for 30 mins follo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582885(CHEMBL5091591)
Affinity DataIC50: 20nMAssay Description:Inhibition of SETD2 in human A549 cells assessed as reduction in H3K36me3 incubated for 3 days by in-cell western assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)