BDBM50341986 6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)-2-phenylbenzofuran-5-carboxylic acid::CHEMBL1765367

SMILES: OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1

InChI Key: InChIKey=XDUPIYKMBPUQSZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50341986   

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
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ptpB				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB (Mycobacterium tuberculosis)	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PTPB				Bioorg Med Chem 20: 1940-6 (2012) Article DOI: 10.1016/j.bmc.2011.11.004 BindingDB Entry DOI: 10.7270/Q23J3DZQ
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
T-cell protein-tyrosine phosphatase (Homo sapiens (Human))	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Huanghuai University Curated by ChEMBL					Assay Description Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 5 mins by spectrophotometric method				Eur J Med Chem 162: 266-276 (2019) Article DOI: 10.1016/j.ejmech.2018.11.025
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Huanghuai University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 5 mins by spectrophotometric method				Eur J Med Chem 162: 266-276 (2019) Article DOI: 10.1016/j.ejmech.2018.11.025
					More data for this Ligand-Target Pair
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Huanghuai University Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis His6-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after ...				Eur J Med Chem 162: 266-276 (2019) Article DOI: 10.1016/j.ejmech.2018.11.025
					More data for this Ligand-Target Pair
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50341986 (6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...) Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
VNU University of Science Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis full-length N-terminal His6-tagged PTPB expressed in Escherichia coli BL21 DE3 using pNPP as substrate after...				Bioorg Med Chem Lett 29: 164-171 (2019) Article DOI: 10.1016/j.bmcl.2018.12.009
					More data for this Ligand-Target Pair