BDBM50246967 CHEMBL4080228::US10570121, Example 81

SMILES CO[C@H](C1COC1)c1cc(Cl)c2CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl

InChI Key InChIKey=RXCVUHMIWHRLDF-HXUWFJFHSA-N

Data  4 KI  9 IC50

PDB links: 1 PDB ID matches this monomer.

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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 13 hits for monomerid = 50246967   

TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataKi: <0.100nMAssay Description:Binding affinity to EZH2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataKi: <0.100nMAssay Description:Inhibition of EZH2 Y641N mutant (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataKi:  0.200nMAssay Description:A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase EZH1(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataKi:  70nMAssay Description:Binding affinity to EZH1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50:  4nMAssay Description:Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetHistone-lysine N-methyltransferase EZH2 [2-746,Y641N](Homo sapiens (Human))
Pfizer

US Patent
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50:  3nMAssay Description:A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCytochrome P450 3A4(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50246967(CHEMBL4080228 | US10570121, Example 81)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed