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SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

InChI Key: InChIKey=ZXXITXXQAAKWCL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50522537   

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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+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 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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+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
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 HSP60 expressed in Escherichia coli Rosetta 2(DE3)/human HSP10 expressed in Escherichia coli Rosetta 2(DE3) pLysS cells assessed ...				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 1 (Homo sapiens (Human))	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+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 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
Malate dehydrogenase, mitochondrial (Sus scrofa (pig))	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.30E+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 refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate fo...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				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))	BDBM50522537 (CHEMBL4444550) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-14-7-10-17(11-8-14)26(23,24)22-16-9-12-19-18(13-16)21-20(25-19)15-5-3-2-4-6-15/h2-13,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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