BDBM50450014 CHEMBL4168415

SMILES: NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1

InChI Key: InChIKey=DJQGHSUYOXRRKE-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 = 50450014   

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
10 kDa chaperonin (Escherichia coli)	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+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...				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)	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB UniProtKB/TrEMBL 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 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
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+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 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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	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	4.20E+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 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
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+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
T-cell protein-tyrosine phosphatase (Homo sapiens (Human))	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+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 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
10 kDa chaperonin (Escherichia coli)	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+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)	BDBM50450014 (CHEMBL4168415) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)28-17-5-3-16(4-6-17)24-27-20-13-18(7-10-21(20)34-24)29-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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