BDBM50594408 CHEMBL5195440

SMILES [H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1

InChI Key InChIKey=UYSOGWLYOSWGNI-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50594408   

TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 15nMAssay 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
PubMed
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 11nMAssay 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
PubMed
TargetCytochrome P450 2C8(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition measured after 20 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (s)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50594408(CHEMBL5195440)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed