BDBM38019 US10093646, Compound 1::US10301278, Example 00003::US10336774, Example 01::US10774065, Example 00003::US10858359, SHP099::US11401259, Compound 1::US11702392, Compound SHP-099::US20230348467, Compound SHP-099

SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl

InChI Key InChIKey=AFVNZFNIJYFCSZ-UHFFFAOYSA-N

Data  2 KI  32 IC50  2 Kd

PDB links: 8 PDB IDs match this monomer.

  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 37 hits for monomerid = 38019   

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

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataKi:  67nMAssay Description:Reversible inhibition of wild-type human SHP2 using DiFMUP as substrate and measured by jump dilution assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Patent

US Patent
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataKi:  300nMAssay Description:Inhibition of the ion channel hErg (or Kv11.1) current causes QT interval prolongation resulting in potentially fatal ventricular tachyarrhythmia cal...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  60nMAssay Description:Allosteric inhibition of 2P-IRS-1 stimulated wild type SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preinc...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Negative allosteric modulator activity at SHP2 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  250nMAssay Description:Inhibition of SHP2 in human KYSE520 cells assessed as inhibition of ERK phosphorylation measured after 2 hrs by AlphaScreen assayMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human 6his-tagged SHP2 (2 to 593 residues) expressed in Escherichia coli BL21 Star (DE3) cells preincubated with IRS1_pY1172(dPEG8)pY12...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  250nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  250nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  71nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  71nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Inhibition of SHP2 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  84nMAssay Description:IC50 values were estimated using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) as a substrate, SHP2 samples (diluted to 0.5 nM in reaction buf...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  136nMAssay Description:Inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins in p...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to full length SHP2 E76K mutant (unknown origin) expressed in Escherichia coli BL21(DE3) competent cells by isothermal titration cal...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataKd:  73nMAssay Description:Binding affinity to N-terminal His tagged TEV-cleavage site fused human full length wild type SHP2 (1 to 529 residues) expressed in Escherichia coli ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  250nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Patent

US Patent
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  71nMAssay Description:Inhibition of dihydrofolate reductase in Candida albicans (in vitro).More data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  0.145nMAssay Description:Inhibition of human SHP2 catalytic activity in human MV4-11 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...More data for this Ligand-Target Pair
TargetHistone deacetylase(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human HDAC using fluorogenic substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  40nMAssay Description:Inhibition of wild type SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:Inhibition of recombinant human SHP2More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  47nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11 [E76Z](Homo sapiens)
Merck Patent

US Patent
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  3.40E+4nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11 [E76Z](Homo sapiens)
Merck Patent

US Patent
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  2.50E+5nMAssay Description:The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  128nMAssay Description:he experimental process was briefly described as follows: Test compounds were first dissolved in DMSO to prepare storage solutions. The reaction was ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  71nMAssay 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
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: >1.00E+4nMAssay Description:Allosteric inhibition of recombinant human SHP2 PTP domain (237 to 535 residues) using DiFMUP as substrate preincubated for 30 mins and followed by s...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of wild-type SHP1 (2 to 595 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of wild-type PTP1B (2 to 435 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMpH: 7.2 T: 2°CAssay Description:More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50:  70nMAssay Description:SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...More data for this Ligand-Target Pair