Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'lima' and Initial = 'cd'   

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
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119876 (SL932 | US9073941, 503) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl Show InChI InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119876 (SL932 | US9073941, 503) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1Cl Show InChI InChI=1S/C15H16BrClN4O4S/c1-21(26(23,24)13-5-9(16)7-19-15(13)18)8-14(22)20-10-3-4-12(25-2)11(17)6-10/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119877 (SL809 | US9073941, 502) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC Show InChI InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119880 (SL418) Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119878 (SL827 | US9073941, 500) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C15H17BrN4O4S/c1-20(25(22,23)13-7-10(16)8-18-15(13)17)9-14(21)19-11-3-5-12(24-2)6-4-11/h3-8H,9H2,1-2H3,(H2,17,18)(H,19,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119877 (SL809 | US9073941, 502) Show SMILES COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1OC Show InChI InChI=1S/C16H19BrN4O5S/c1-21(27(23,24)14-6-10(17)8-19-16(14)18)9-15(22)20-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119879 (SL917 | US9073941, 505) Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119879 (SL917 | US9073941, 505) Show SMILES CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1 Show InChI InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Prephenate dehydrogenase (Mycobacterium tuberculosis H37Rv)	BDBM119880 (SL418) Show SMILES CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C14H13BrClFN4O3S/c1-21(25(23,24)12-4-8(15)6-19-14(12)18)7-13(22)20-9-2-3-11(17)10(16)5-9/h2-6H,7H2,1H3,(H2,18,19)(H,20,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119881 (K906-3584) Show SMILES CN(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C15H16Br2N4O3S/c1-9-5-11(3-4-12(9)17)20-14(22)8-21(2)25(23,24)13-6-10(16)7-19-15(13)18/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92888 (Triazaspirobenzyl, 4) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(cc2)C(F)(F)F)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C33H35F3N4O5/c1-44-26-12-13-27(28(20-26)45-2)30(42)38-18-15-32(16-19-38)31(43)39(22-40(32)25-6-4-3-5-7-25)21-29(41)37-17-14-23-8-10-24(11-9-23)33(34,35)36/h3-13,20H,14-19,21-22H2,1-2H3,(H,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119889 (4031-0653) Show SMILES NC(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C8H9N3O2/c9-7(12)8(13)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H2,9,12)(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119882 (E114-0951) Show SMILES CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C17H21BrN4O3S/c1-3-22(11-13-7-5-4-6-8-13)16(23)12-21(2)26(24,25)15-9-14(18)10-20-17(15)19/h4-10H,3,11-12H2,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119883 (E144-0828) Show SMILES CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C16H19BrN4O3S/c1-20(10-12-6-4-3-5-7-12)15(22)11-21(2)25(23,24)14-8-13(17)9-19-16(14)18/h3-9H,10-11H2,1-2H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119884 (C324-0095) Show SMILES Brc1ccc(NC(=O)C2CCC(CC2)S(=O)(=O)c2cccnc2)cc1 |(10.51,-3.79,;12.05,-3.79,;12.82,-2.46,;14.36,-2.46,;15.13,-3.79,;16.67,-3.79,;17.44,-5.13,;16.67,-6.46,;18.98,-5.13,;19.75,-6.46,;21.29,-6.46,;22.06,-5.13,;21.29,-3.79,;19.75,-3.79,;23.6,-5.13,;23.6,-3.59,;23.6,-6.67,;25.14,-5.13,;25.91,-3.79,;27.45,-3.79,;28.22,-5.13,;27.45,-6.46,;25.91,-6.46,;14.36,-5.13,;12.82,-5.13,)| Show InChI InChI=1S/C18H19BrN2O3S/c19-14-5-7-15(8-6-14)21-18(22)13-3-9-16(10-4-13)25(23,24)17-2-1-11-20-12-17/h1-2,5-8,11-13,16H,3-4,9-10H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119886 (K906-3123) Show SMILES Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C14H14BrClN4O3S/c15-9-6-12(14(17)18-8-9)24(22,23)19-5-4-13(21)20-11-3-1-2-10(16)7-11/h1-3,6-8,19H,4-5H2,(H2,17,18)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119887 (E138-2195) Show SMILES CCCCNS(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C9H14BrN3O2S/c1-2-3-4-13-16(14,15)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119888 (E138-2099) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C10H15BrN4O2S/c1-14-2-4-15(5-3-14)18(16,17)9-6-8(11)7-13-10(9)12/h6-7H,2-5H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM69101 (C737-3282 | MLS000673130 | N-(2-methylcyclohexyl)-...) Show SMILES CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C19H25N3O3S/c1-14-7-3-4-10-16(14)21-18(23)13-22(2)26(24,25)17-11-5-8-15-9-6-12-20-19(15)17/h5-6,8-9,11-12,14,16H,3-4,7,10,13H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92887 (Triazaspirobenzyl, 5) Show SMILES COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1 Show InChI InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119890 (4031-1995) Show SMILES CC(C)(C)NC(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C12H17N3O2/c1-12(2,3)15-11(17)10(16)14-8-9-5-4-6-13-7-9/h4-7H,8H2,1-3H3,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM92889 (Triazaspirobenzyl, 8) Show SMILES COc1cccc(c1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCc1ccc(cc1)C(F)(F)F)C2=O)c1ccccc1 Show InChI InChI=1S/C32H33F3N4O4/c1-43-27-9-5-6-24(20-27)29(41)37-18-15-31(16-19-37)30(42)38(22-39(31)26-7-3-2-4-8-26)21-28(40)36-17-14-23-10-12-25(13-11-23)32(33,34)35/h2-13,20H,14-19,21-22H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description Enzymatic assay using Lpd.				Biochemistry 49: 1616-27 (2010) Article DOI: 10.1021/bi9016186 BindingDB Entry DOI: 10.7270/Q2JW8CGD
					More data for this Ligand-Target Pair
Dihydrolipoyl dehydrogenase (Mycobacterium tuberculosis)	BDBM119885 (E199-0112) Show SMILES CCCCN(C)C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N Show InChI InChI=1S/C13H21BrN4O3S/c1-3-4-7-18(2)12(19)5-6-17-22(20,21)11-8-10(14)9-16-13(11)15/h8-9,17H,3-7H2,1-2H3,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College					Assay Description IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or ...				Biochemistry 52: 9375-84 (2013) Article DOI: 10.1021/bi401077f BindingDB Entry DOI: 10.7270/Q29K48X6
					More data for this Ligand-Target Pair