Compile Data Set for Download or QSAR

Found 845 hits Enz. Inhib. hit(s) with all data for entry = 50008809   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Co-chaperonin GroES (Escherichia coli)	BDBM50501230 (CHEMBL3986320) Show SMILES Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(O)cc3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-6-10-21(11-7-19)36(31,32)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)35-25)28-37(33,34)22-12-8-20(30)9-13-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50341981 (2-((3-chlorobenzyl)((5-(N-(3,3-diphenylpropyl)sulf...) Show SMILES OC(=O)C(=O)N(Cc1ccc(s1)S(=O)(=O)NCCC(c1ccccc1)c1ccccc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C29H27ClN2O5S2/c30-24-13-7-8-21(18-24)19-32(28(33)29(34)35)20-25-14-15-27(38-25)39(36,37)31-17-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,18,26,31H,16-17,19-20H2,(H,34,35)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	440	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 PtpB				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501255 (CHEMBL3942054) Show SMILES Brc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(Br)c3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501239 (CHEMBL3938421) Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(O)c3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-3-1-5-21(14-19)36(31,32)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)35-25)28-37(33,34)22-6-2-4-20(30)15-22/h1-15,27-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50450002 (CHEMBL4176281) Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)29-18-7-10-21-20(13-18)27-24(34-21)16-3-5-17(6-4-16)28-36(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	1.30E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501239 (CHEMBL3938421) Show SMILES Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(O)c3)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-19-3-1-5-21(14-19)36(31,32)27-17-9-7-16(8-10-17)25-26-23-13-18(11-12-24(23)35-25)28-37(33,34)22-6-2-4-20(30)15-22/h1-15,27-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450011 (CHEMBL4161487) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C24H14Cl2F3N3O5S3/c25-18-7-6-16(12-17(18)24(27,28)29)39(33,34)31-14-3-1-13(2-4-14)23-30-19-11-15(5-8-20(19)37-23)32-40(35,36)22-10-9-21(26)38-22/h1-12,31-32H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522587 (CHEMBL4453551) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-14-15-26(37-25)39(34,35)30-19-10-8-18(9-11-19)27-29-22-16-20(12-13-23(22)36-27)31-38(32,33)24-7-3-5-17-4-1-2-6-21(17)24/h1-16,30-31H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501241 (CHEMBL3904891) Show SMILES Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2o1 Show InChI InChI=1S/C25H17Cl2N3O5S2/c26-17-3-1-5-21(13-17)36(31,32)29-19-9-7-16(8-10-19)25-28-23-15-20(11-12-24(23)35-25)30-37(33,34)22-6-2-4-18(27)14-22/h1-15,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501257 (CHEMBL3910488) Show SMILES Oc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3O)ccc2o1 Show InChI InChI=1S/C25H19N3O7S2/c29-20-5-1-3-7-23(20)36(31,32)27-17-11-9-16(10-12-17)25-26-19-15-18(13-14-22(19)35-25)28-37(33,34)24-8-4-2-6-21(24)30/h1-15,27-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522567 (CHEMBL4542408) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C23H14Cl3N3O5S3/c24-17-7-6-16(12-18(17)25)36(30,31)28-14-3-1-13(2-4-14)23-27-19-11-15(5-8-20(19)34-23)29-37(32,33)22-10-9-21(26)35-22/h1-12,28-29H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450001 (CHEMBL4162794) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C21H13Cl2N3O5S4/c22-17-7-9-19(32-17)34(27,28)25-13-3-1-12(2-4-13)21-24-15-11-14(5-6-16(15)31-21)26-35(29,30)20-10-8-18(23)33-20/h1-11,25-26H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522522 (CHEMBL4590591) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-14-15-26(37-25)39(34,35)31-20-12-13-23-22(16-20)29-27(36-23)18-8-10-19(11-9-18)30-38(32,33)24-7-3-5-17-4-1-2-6-21(17)24/h1-16,30-31H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501224 (CHEMBL3908434) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-10-21(11-4-17)42(37,38)35-19-7-1-16(2-8-19)25-34-23-15-20(9-14-24(23)41-25)36-43(39,40)22-12-5-18(6-13-22)27(31,32)33/h1-15,35-36H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450006 (CHEMBL3970551) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2o1 Show InChI InChI=1S/C27H17F6N3O5S2/c28-26(29,30)17-3-1-5-21(13-17)42(37,38)35-19-9-7-16(8-10-19)25-34-23-15-20(11-12-24(23)41-25)36-43(39,40)22-6-2-4-18(14-22)27(31,32)33/h1-15,35-36H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450004 (CHEMBL4160098) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C24H15ClF3N3O5S3/c25-21-10-11-22(37-21)39(34,35)31-17-8-9-20-19(13-17)29-23(36-20)14-4-6-16(7-5-14)30-38(32,33)18-3-1-2-15(12-18)24(26,27)28/h1-13,30-31H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	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	3.20E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501238 (CHEMBL3913878) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1 Show InChI InChI=1S/C25H17F2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450008 (CHEMBL4166077) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 Show InChI InChI=1S/C23H14Cl3N3O5S3/c24-17-7-6-16(12-18(17)25)36(30,31)29-15-5-8-20-19(11-15)27-23(34-20)13-1-3-14(4-2-13)28-37(32,33)22-10-9-21(26)35-22/h1-12,28-29H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522530 (CHEMBL4447455) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C24H17Cl2N3O6S3/c1-34-20-8-4-15(25)12-21(20)37(30,31)28-16-5-2-14(3-6-16)24-27-18-13-17(7-9-19(18)35-24)29-38(32,33)23-11-10-22(26)36-23/h2-13,28-29H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522564 (CHEMBL4446055) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccs2)cc1 Show InChI InChI=1S/C21H14ClN3O5S4/c22-18-9-10-20(32-18)34(28,29)25-15-7-8-17-16(12-15)23-21(30-17)13-3-5-14(6-4-13)24-33(26,27)19-2-1-11-31-19/h1-12,24-25H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522562 (CHEMBL4545651) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ncsc4c3)ccc2o1 Show InChI InChI=1S/C24H15ClN4O5S4/c25-22-9-10-23(36-22)38(32,33)28-15-3-1-14(2-4-15)24-27-19-11-16(5-8-20(19)34-24)29-37(30,31)17-6-7-18-21(12-17)35-13-26-18/h1-13,28-29H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501223 (CHEMBL3979736) Show SMILES Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2o1 Show InChI InChI=1S/C25H17Br2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450007 (CHEMBL4169499) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C24H14Cl2F3N3O5S3/c25-18-7-6-16(12-17(18)24(27,28)29)39(33,34)32-15-5-8-20-19(11-15)30-23(37-20)13-1-3-14(4-2-13)31-40(35,36)22-10-9-21(26)38-22/h1-12,31-32H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522568 (CHEMBL4533148) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(C=C)cc3)ccc2o1 Show InChI InChI=1S/C25H18ClN3O5S3/c1-2-16-3-10-20(11-4-16)36(30,31)29-19-9-12-22-21(15-19)27-25(34-22)17-5-7-18(8-6-17)28-37(32,33)24-14-13-23(26)35-24/h2-15,28-29H,1H2	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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450012 (CHEMBL4167333) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1 Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)27-14-3-1-13(2-4-14)23-26-18-11-15(5-8-20(18)36-23)28-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50522559 (CHEMBL4463085) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1 Show InChI InChI=1S/C21H14ClN3O5S4/c22-18-9-10-20(32-18)34(28,29)24-14-5-3-13(4-6-14)21-23-16-12-15(7-8-17(16)30-21)25-33(26,27)19-2-1-11-31-19/h1-12,24-25H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501243 (CHEMBL3903813) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1)c1ccccc1 Show InChI InChI=1S/C25H19N3O5S2/c29-34(30,21-7-3-1-4-8-21)27-19-13-11-18(12-14-19)25-26-23-17-20(15-16-24(23)33-25)28-35(31,32)22-9-5-2-6-10-22/h1-17,27-28H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522604 (CHEMBL4449994) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1 Show InChI InChI=1S/C26H16ClN3O7S3/c27-23-10-12-25(38-23)40(34,35)29-17-4-1-15(2-5-17)26-28-20-14-18(6-8-22(20)37-26)30-39(32,33)19-7-9-21-16(13-19)3-11-24(31)36-21/h1-14,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522531 (CHEMBL4548710) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2o1 Show InChI InChI=1S/C23H15BrClN3O5S3/c24-15-3-8-18(9-4-15)35(29,30)28-17-7-10-20-19(13-17)26-23(33-20)14-1-5-16(6-2-14)27-36(31,32)22-12-11-21(25)34-22/h1-13,27-28H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501242 (CHEMBL3924343) Show SMILES OC(=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3C(O)=O)ccc2o1 Show InChI InChI=1S/C27H19N3O9S2/c31-26(32)19-5-1-3-7-23(19)40(35,36)29-17-11-9-16(10-12-17)25-28-21-15-18(13-14-22(21)39-25)30-41(37,38)24-8-4-2-6-20(24)27(33)34/h1-15,29-30H,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50522527 (CHEMBL4171392) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2o1)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,29-16-11-22-5-1-3-7-25(22)19-29)35-27-13-9-24(10-14-27)33-34-31-21-28(15-18-32(31)41-33)36-43(39,40)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,35-36H	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	4.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450005 (CHEMBL3975683) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 Show InChI InChI=1S/C25H17Cl2N3O5S2/c26-17-3-10-21(11-4-17)36(31,32)29-19-7-1-16(2-8-19)25-28-23-15-20(9-14-24(23)35-25)30-37(33,34)22-12-5-18(27)6-13-22/h1-15,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522527 (CHEMBL4171392) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2o1)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,29-16-11-22-5-1-3-7-25(22)19-29)35-27-13-9-24(10-14-27)33-34-31-21-28(15-18-32(31)41-33)36-43(39,40)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,35-36H	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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50450009 (CHEMBL4161583) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 Show InChI InChI=1S/C23H14Cl2N4O7S3/c24-17-7-6-16(12-19(17)29(30)31)38(32,33)28-15-5-8-20-18(11-15)26-23(36-20)13-1-3-14(4-2-13)27-39(34,35)22-10-9-21(25)37-22/h1-12,27-28H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD 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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50501247 (CHEMBL3934460) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1)c1cccc2ccccc12 Show InChI InChI=1S/C33H23N3O5S2/c37-42(38,31-13-5-9-22-7-1-3-11-27(22)31)35-25-17-15-24(16-18-25)33-34-29-21-26(19-20-30(29)41-33)36-43(39,40)32-14-6-10-23-8-2-4-12-28(23)32/h1-21,35-36H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50501259 (CHEMBL3950773) Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccccc3C)ccc2o1 Show InChI InChI=1S/C27H23N3O5S2/c1-18-7-3-5-9-25(18)36(31,32)29-21-13-11-20(12-14-21)27-28-23-17-22(15-16-24(23)35-27)30-37(33,34)26-10-6-4-8-19(26)2/h3-17,29-30H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50522564 (CHEMBL4446055) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccs2)cc1 Show InChI InChI=1S/C21H14ClN3O5S4/c22-18-9-10-20(32-18)34(28,29)25-15-7-8-17-16(12-15)23-21(30-17)13-3-5-14(6-4-13)24-33(26,27)19-2-1-11-31-19/h1-12,24-25H	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	4.90E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522584 (CHEMBL4562570) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(C=C)cc2)cc1 Show InChI InChI=1S/C25H18ClN3O5S3/c1-2-16-3-10-20(11-4-16)36(30,31)28-18-7-5-17(6-8-18)25-27-21-15-19(9-12-22(21)34-25)29-37(32,33)24-14-13-23(26)35-24/h2-15,28-29H,1H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522559 (CHEMBL4463085) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1 Show InChI InChI=1S/C21H14ClN3O5S4/c22-18-9-10-20(32-18)34(28,29)24-14-5-3-13(4-6-14)21-23-16-12-15(7-8-17(16)30-21)25-33(26,27)19-2-1-11-31-19/h1-12,24-25H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50522587 (CHEMBL4453551) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2o1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-14-15-26(37-25)39(34,35)30-19-10-8-18(9-11-19)27-29-22-16-20(12-13-23(22)36-27)31-38(32,33)24-7-3-5-17-4-1-2-6-21(17)24/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	5.10E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522566 (CHEMBL4513892) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H15BrClN3O5S3/c24-15-3-8-18(9-4-15)35(29,30)27-16-5-1-14(2-6-16)23-26-19-13-17(7-10-20(19)33-23)28-36(31,32)22-12-11-21(25)34-22/h1-13,27-28H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50522522 (CHEMBL4590591) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-14-15-26(37-25)39(34,35)31-20-12-13-23-22(16-20)29-27(36-23)18-8-10-19(11-9-18)30-38(32,33)24-7-3-5-17-4-1-2-6-21(17)24/h1-16,30-31H	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	5.40E+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 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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522571 (CHEMBL4531689) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2o1 Show InChI InChI=1S/C27H18ClN3O5S3/c28-25-13-14-26(37-25)39(34,35)30-20-8-5-18(6-9-20)27-29-23-16-21(10-12-24(23)36-27)31-38(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	5.40E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50522547 (CHEMBL4467368) Show SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 Show InChI InChI=1S/C26H16ClN3O7S3/c27-23-10-12-25(38-23)40(34,35)30-18-6-8-22-20(14-18)28-26(37-22)15-1-4-17(5-2-15)29-39(32,33)19-7-9-21-16(13-19)3-11-24(31)36-21/h1-14,29-30H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50501220 (CHEMBL3975456) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1)c1cccs1 Show InChI InChI=1S/C21H15N3O5S4/c25-32(26,19-3-1-11-30-19)23-15-7-5-14(6-8-15)21-22-17-13-16(9-10-18(17)29-21)24-33(27,28)20-4-2-12-31-20/h1-13,23-24H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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 BindingDB Entry DOI: 10.7270/Q2MG7SWV
					More data for this Ligand-Target Pair

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