BDBM50544432 CHEMBL4642274

SMILES: NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1

InChI Key: InChIKey=ARXPOIQGGFKKRC-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50544432   

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
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	88	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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens)	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB KEGG GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+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))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	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	>5.00E+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 1B (Homo sapiens (Human))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Triple specificity protein phosphatase PtpB ()	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	88	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))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+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))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.99E+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))	BDBM50544432 (CHEMBL4642274 | US11192850, Entry 4l) Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.99E+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