BDBM50530251 CHEMBL4439006::US10975080, Example 75

SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N

InChI Key InChIKey=URUPFUYPXLMTMT-UHFFFAOYSA-N

Data  16 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 16 hits for monomerid = 50530251   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2021
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50530251(CHEMBL4439006 | US10975080, Example 75)
Affinity DataIC50: 36nMAssay Description:Allosteric inhibition of wild-type human SHP2 (1 to 535 residues) using DiFMUP and 2p-IRS1 peptide as substrates preincubated for 1 hr and followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed