Compile Data Set for Download or QSAR

Found 12 hits of ki data for polymerid = 50004605   

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
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382338 (CHEMBL2024344) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382339 (CHEMBL2024338) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382338 (CHEMBL2024344) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H42Cl2N7O19P3S/c1-31(2,25(44)28(45)36-6-5-21(42)35-7-8-63-20(30(46)47)10-18(41)16-4-3-15(32)9-17(16)33)12-56-62(53,54)59-61(51,52)55-11-19-24(58-60(48,49)50)23(43)29(57-19)40-14-39-22-26(34)37-13-38-27(22)40/h3-4,9,13-14,19-20,23-25,29,43-44H,5-8,10-12H2,1-2H3,(H,35,42)(H,36,45)(H,46,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382337 (CHEMBL2024335) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382339 (CHEMBL2024338) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccccc1Cl)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-5-3-4-6-17(16)32)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	792	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50382337 (CHEMBL2024335) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C31H43ClN7O19P3S/c1-31(2,25(43)28(44)35-8-7-21(41)34-9-10-62-20(30(45)46)11-18(40)16-3-5-17(32)6-4-16)13-55-61(52,53)58-60(50,51)54-12-19-24(57-59(47,48)49)23(42)29(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h3-6,14-15,19-20,23-25,29,42-43H,7-13H2,1-2H3,(H,34,41)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20?,23-,24-,25+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis				ACS Med Chem Lett 2: 818-823 (2011) Article DOI: 10.1021/ml200141e BindingDB Entry DOI: 10.7270/Q2B56KRM
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329094 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...) Show SMILES COC(=O)Cc1nc2ccccc2oc1=O Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329084 ((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329084 ((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329085 ((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329085 ((Z)-methyl 2-(6-chloro-2-oxo-2H-benzo[b][1,4]oxazi...) Show SMILES COC(=O)Cc1nc2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C11H8ClNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair
1,4-dihydroxy-2-naphthoyl-CoA synthase (Mycobacterium tuberculosis)	BDBM50329094 ((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...) Show SMILES COC(=O)Cc1nc2ccccc2oc1=O Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...				Bioorg Med Chem Lett 20: 6306-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.076 BindingDB Entry DOI: 10.7270/Q2M045PR
					More data for this Ligand-Target Pair