BDBM50450010 CHEMBL4168023

SMILES: Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1

InChI Key: InChIKey=OCVPTBVNAPSTBP-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50450010   

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
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+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 rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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 coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	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	1.50E+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
T-cell protein-tyrosine phosphatase (Homo sapiens (Human))	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 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 5 (Homo sapiens (Human))	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+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 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
10 kDa chaperonin (Escherichia coli)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+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 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
HSP60/HSP10 (Homo sapiens)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50450010 (CHEMBL4168023) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 Show InChI InChI=1S/C23H14ClN5O6S3/c24-20-10-11-21(36-20)38(32,33)29-15-8-9-18-17(12-15)25-23(34-18)13-4-6-14(7-5-13)28-37(30,31)19-3-1-2-16-22(19)27-35-26-16/h1-12,28-29H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+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