BDBM50522601 CHEMBL4513591

SMILES: Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

InChI Key: InChIKey=RVJDQKSGYITEPX-UHFFFAOYSA-N

Data: 8 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 = 50522601   

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
Co-chaperonin GroES (Escherichia coli)	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+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 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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+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 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))	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+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
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.45E+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 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
Co-chaperonin GroES (Escherichia coli)	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+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
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+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 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
Malate dehydrogenase, mitochondrial (Sus scrofa (pig))	BDBM50522601 (CHEMBL4513591) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 Show InChI InChI=1S/C19H13ClN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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