Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50039414   

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
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343142 (CHEMBL1773168 | N-(4-butylphenyl)-2-oxo-1,2-dihydr...) Show SMILES CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1 Show InChI InChI=1S/C21H20N2O3S/c1-2-3-5-14-8-10-15(11-9-14)23-27(25,26)19-13-12-18-20-16(19)6-4-7-17(20)21(24)22-18/h4,6-13,23H,2-3,5H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343147 (CHEMBL1773180 | N1-(furan-2-ylmethyl)-N2-(1-(4-(4-...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1 Show InChI InChI=1S/C25H30N4O4S/c1-18(27-25(31)24(30)26-17-21-5-3-15-33-21)23(22-6-4-16-34-22)29-13-11-28(12-14-29)19-7-9-20(32-2)10-8-19/h3-10,15-16,18,23H,11-14,17H2,1-2H3,(H,26,30)(H,27,31)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343143 (2-oxo-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)...) Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc2oc3CCCCc3c2c1 Show InChI InChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343144 (CHEMBL1773170 | N-(3-chloro-4-hydroxynaphthalen-1-...) Show SMILES Oc1c(Cl)cc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)c2ccccc12 Show InChI InChI=1S/C21H13ClN2O4S/c22-15-10-17(11-4-1-2-5-12(11)20(15)25)24-29(27,28)18-9-8-16-19-13(18)6-3-7-14(19)21(26)23-16/h1-10,24-25H,(H,23,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343148 (CHEMBL1773181 | N1-(1-(4-(4-fluorophenyl)piperazin...) Show SMILES CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1 Show InChI InChI=1S/C25H28FN5O2S/c1-18(29-25(33)24(32)28-17-19-4-2-10-27-16-19)23(22-5-3-15-34-22)31-13-11-30(12-14-31)21-8-6-20(26)7-9-21/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,28,32)(H,29,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+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 Mycobacterium tuberculosis N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343150 (CHEMBL1773183 | N1-(1-(4-(4-fluorophenyl)piperazin...) Show SMILES COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1 Show InChI InChI=1S/C27H31FN4O3S/c1-19(30-27(34)26(33)29-18-20-6-3-4-7-23(20)35-2)25(24-8-5-17-36-24)32-15-13-31(14-16-32)22-11-9-21(28)10-12-22/h3-12,17,19,25H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343149 (CHEMBL1773182 | N1-(2-(1H-indol-3-yl)ethyl)-N2-(1-...) Show SMILES CC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1 Show InChI InChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343146 (CHEMBL1773172 | pentyl 2-methyl-5-(2-oxo-1,2-dihyd...) Show SMILES CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12 Show InChI InChI=1S/C26H24N2O6S/c1-3-4-5-13-33-26(30)23-15(2)34-21-11-9-16(14-19(21)23)28-35(31,32)22-12-10-20-24-17(22)7-6-8-18(24)25(29)27-20/h6-12,14,28H,3-5,13H2,1-2H3,(H,27,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343145 (CHEMBL1773171 | heptyl 2-methyl-5-(2-oxo-1,2-dihyd...) Show SMILES CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12 Show InChI InChI=1S/C28H28N2O6S/c1-3-4-5-6-7-15-35-28(32)25-17(2)36-23-13-11-18(16-21(23)25)30-37(33,34)24-14-12-22-26-19(24)9-8-10-20(26)27(31)29-22/h8-14,16,30H,3-7,15H2,1-2H3,(H,29,31)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50343151 (CHEMBL1773184 | N1-(benzo[d][1,3]dioxol-5-ylmethyl...) Show SMILES CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C27H30N4O4S/c1-19(29-27(33)26(32)28-17-20-9-10-22-23(16-20)35-18-34-22)25(24-8-5-15-36-24)31-13-11-30(12-14-31)21-6-3-2-4-7-21/h2-10,15-16,19,25H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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 N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...				ACS Med Chem Lett 1: 355-359 (2010) Article DOI: 10.1021/ml1001135 BindingDB Entry DOI: 10.7270/Q26M37TG
					More data for this Ligand-Target Pair