BDBM50522594 CHEMBL4518473

SMILES: Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

InChI Key: InChIKey=RNONDUSPYCKUMZ-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 4 hits for monomerid = 50522594   

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)	BDBM50522594 (CHEMBL4518473) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-13-14-26(37-25)39(34,35)31-21-10-12-24-23(16-21)29-27(36-24)18-5-8-20(9-6-18)30-38(32,33)22-11-7-17-3-1-2-4-19(17)15-22/h1-16,30-31H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spect...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50522594 (CHEMBL4518473) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-13-14-26(37-25)39(34,35)31-21-10-12-24-23(16-21)29-27(36-24)18-5-8-20(9-6-18)30-38(32,33)22-11-7-17-3-1-2-4-19(17)15-22/h1-16,30-31H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN1 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50522594 (CHEMBL4518473) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-13-14-26(37-25)39(34,35)31-21-10-12-24-23(16-21)29-27(36-24)18-5-8-20(9-6-18)30-38(32,33)22-11-7-17-3-1-2-4-19(17)15-22/h1-16,30-31H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
T-cell protein-tyrosine phosphatase (Homo sapiens (Human))	BDBM50522594 (CHEMBL4518473) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-13-14-26(37-25)39(34,35)31-21-10-12-24-23(16-21)29-27(36-24)18-5-8-20(9-6-18)30-38(32,33)22-11-7-17-3-1-2-4-19(17)15-22/h1-16,30-31H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN2 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair