Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50001710   

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
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316153 (CHEMBL4299745) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)ccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-8-9(3-7)25-26-17(12(8)28)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316151 (CHEMBL4299747) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H16F2N8O6S.C6H15N/c19-7-1-6-9(2-8(7)20)26-27-17(12(6)29)35(32,33)25-3-10-13(30)14(31)18(34-10)28-5-24-11-15(21)22-4-23-16(11)28;1-4-7(5-2)6-3/h1-2,4-5,10,13-14,18,25,30-31H,3H2,(H,26,29)(H2,21,22,23);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316152 (CHEMBL4299749) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O6S.C6H15N/c19-15-11-16(21-6-20-15)26(7-22-11)18-14(29)13(28)10(32-18)5-23-33(30,31)17-12(27)8-3-1-2-4-9(8)24-25-17;1-4-7(5-2)6-3/h1-4,6-7,10,13-14,18,23,28-29H,5H2,(H,24,27)(H2,19,20,21);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316154 (CHEMBL4299748) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccc(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-9-8(3-7)12(28)17(26-25-9)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316149 (CHEMBL4168282) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2c[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H19N7O6S/c20-17-13-18(23-7-22-17)26(8-24-13)19-16(29)15(28)11(32-19)5-25-33(30,31)12-6-21-10-4-2-1-3-9(10)14(12)27/h1-4,6-8,11,15-16,19,25,28-29H,5H2,(H,21,27)(H2,20,22,23)/t11-,15-,16-,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316150 (CHEMBL4160378) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2noc3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17N7O7S/c19-15-11-16(21-6-20-15)25(7-22-11)18-14(28)13(27)10(31-18)5-23-33(29,30)17-12(26)8-3-1-2-4-9(8)32-24-17/h1-4,6-7,10,13-14,18,23,27-28H,5H2,(H2,19,20,21)/t10-,13-,14-,18-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair