BDBM395936 US10308660, Example 12

SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N

InChI Key InChIKey=YDOIDJXVWAVDGD-MEDUHNTESA-N

Data  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 395936   

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

US Patent
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  33nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  5nMAssay Description:Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  5nMAssay Description:Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  5nMAssay Description:Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  5nMAssay Description:Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM395936(US10308660, Example 12)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed