BDBM50544442 CHEMBL4638011::US11192850, Entry 4v

SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1F)C(F)(F)F

InChI Key InChIKey=IPTNWUSXZLVWFT-UHFFFAOYSA-N

Data  1 KI  12 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 = 50544442   

TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataKi:  4.90nMAssay Description:Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of SHP2 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  40nMAssay Description:Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  161nMAssay Description:Inhibition of Mycobacterium tuberculosis PTPB I207A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  9.10E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis PTPB F161S mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTriple specificity protein phosphatase PtpB()
Purdue Research Foundation

US Patent
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  12nMAssay Description:Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...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))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein phosphatase non-receptor type 6(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50: >3.00E+4nMAssay Description:Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  12nMAssay Description:Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50544442(CHEMBL4638011 | US11192850, Entry 4v)
Affinity DataIC50:  698nMAssay Description:Inhibition of Mycobacterium tuberculosis PTPB I207K mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed