BDBM50544442 CHEMBL4638011
SMILES: OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1F)C(F)(F)F
InChI Key: InChIKey=IPTNWUSXZLVWFT-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB KEGG GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay 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... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay 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... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1C (Homo sapiens (Human)) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay 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... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PTPB I207A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PTPB F161S mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Triple specificity protein phosphatase PtpB () | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 2C (Homo sapiens (Human)) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1C (Homo sapiens (Human)) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis) | BDBM50544442 (CHEMBL4638011 | US11192850, Entry 4v) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 698 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis PTPB I207K mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur... | J Med Chem 63: 9212-9227 (2020) | |||||||||||
More data for this Ligand-Target Pair |