BDBM50590049 CHEMBL5209105

SMILES [H][C@]12CN(CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2)C(=O)C1(CC1)C#N

InChI Key InChIKey=UVNQICXVXBBWBT-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 50590049   

TargetSon of sevenless homolog 1(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 19nMAssay Description:Inhibition of SOS1 in human DLD-1 cells assessed as reduction in ERK phosphorylation incubated for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 2.21E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition by LC/MS ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes at 10 uM using phenacetin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes at 10 uM using diclofenac as substrate preincubated for 10 mins followed by NADPH addition by LC/MS an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 4.33E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes at 10 uM using amodiaquine as substrate preincubated for 10 mins followed by NADPH addition by LC/MS a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes at 10 uM using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by LC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 6.50E+3nMAssay Description:Time-dependent inhibition of CYP2C9 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 3.87E+4nMAssay Description:Time-dependent inhibition of CYP2C8 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 2.10E+3nMAssay Description:Time-dependent inhibition of CYP2D6 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Wuhan University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50590049(CHEMBL5209105)
Affinity DataIC50: 1.58E+4nMAssay Description:Time-dependent inhibition of CYP3A4 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed