Compile Data Set for Download or QSAR

Found 54 hits of ic50 for UniProtKB: P9WIS7   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188304 (US9073941, 905) Show SMILES O=C1c2nn(nc2-c2ccccc2C1=O)-c1ccccc1 Show InChI InChI=1S/C16H9N3O2/c20-15-12-9-5-4-8-11(12)13-14(16(15)21)18-19(17-13)10-6-2-1-3-7-10/h1-9H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50438912 (CHEMBL1096283 | CVD-0012826 | MAT-POS-1e0c1c67-1 |...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50438910 (CHEMBL1450796 | US9073941, 618) Show SMILES Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O2/c1-8-4-6-9(7-5-8)11-15-10-12(19(3)17-11)16-14(21)18(2)13(10)20/h4-7H,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM34905 (1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...) Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188291 (US9073941, 616) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(F)cc1 Show InChI InChI=1S/C13H10FN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188290 (US9073941, 615) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1Cl Show InChI InChI=1S/C14H12ClN5O2/c1-3-20-12-10(13(21)19(2)14(22)17-12)16-11(18-20)8-6-4-5-7-9(8)15/h4-7H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188289 (US9073941, 614) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H10N6O4/c1-17-12(20)9-11(15-13(17)21)18(2)16-10(14-9)7-3-5-8(6-4-7)19(22)23/h3-6H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188288 (US9073941, 613) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1C Show InChI InChI=1S/C15H15N5O2/c1-4-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188292 (US9073941, 620) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H12N6O4/c1-3-19-12-10(13(21)18(2)14(22)16-12)15-11(17-19)8-4-6-9(7-5-8)20(23)24/h4-7H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188214 (US9073941, 103/201 | US9073941, 28) Show SMILES O=C1c2ccccc2-c2nc3nonc3nc12 Show InChI InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188214 (US9073941, 103/201 | US9073941, 28) Show SMILES O=C1c2ccccc2-c2nc3nonc3nc12 Show InChI InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188220 (US9073941, 303) Show SMILES COc1ccc(CCI)cc1 Show InChI InChI=1S/C9H11IO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188295 (US9073941, 701) Show SMILES CN1N=C(Nc2c1nc(O)n(C)c2=O)c1ccccc1 |c:2| Show InChI InChI=1S/C13H13N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,16)(H,15,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM31040 (1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM40314 (3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H10ClN5O2/c1-18-12(20)9-11(16-13(18)21)19(2)17-10(15-9)7-3-5-8(14)6-4-7/h3-6H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188285 (US9073941, 604) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H9Cl2N5O2/c1-19-12(21)9-11(17-13(19)22)20(2)18-10(16-9)6-3-4-7(14)8(15)5-6/h3-5H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188286 (US9073941, 605) Show SMILES COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C14H13N5O3/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)8-4-6-9(22-3)7-5-8/h4-7H,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188293 (US9073941, 621) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C16H15N5O4/c1-4-21-13-11(14(22)20(2)16(24)18-13)17-12(19-21)9-5-7-10(8-6-9)15(23)25-3/h5-8H,4H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50420474 (CHEMBL2086889 | US9073941, 607) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188287 (US9073941, 608) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccnc1 Show InChI InChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-5-4-6-14-7-8/h4-7H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM43224 (1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...) Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188221 (US9073941, 401) Show SMILES c1c2ccccc2n2ccc3ccccc3c12 Show InChI InChI=1S/C16H11N/c1-3-7-14-12(5-1)9-10-17-15-8-4-2-6-13(15)11-16(14)17/h1-11H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	439	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188219 (US9073941, 302 | cid_16134267) Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |r| Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (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)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	674	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM22858 (1,2-Dione-Based Compound, 15 | 2-nitro-9,10-dihydr...) Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	691	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188218 (US9073941, 301) Show SMILES C=CCOCc1ccccc1 Show InChI InChI=1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	760	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50099737 (2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...) Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21 Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	788	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188306 (US9073941, 1001) Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-2-3-10-26-18(25-20(27)15-8-9-16(21)28-15)12(11-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9H,2-3,10H2,1H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	954	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188213 (US9073941, 102) Show SMILES CCOc1ccccc1\C=C1/Cc2ccccc2C1=O Show InChI InChI=1S/C18H16O2/c1-2-20-17-10-6-4-8-14(17)12-15-11-13-7-3-5-9-16(13)18(15)19/h3-10,12H,2,11H2,1H3/b15-12+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188303 (US9073941, 903) Show SMILES CC1(C)C2C(=NC1=O)c1ccccc1C(=O)C2=O |c:4| Show InChI InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6,9H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM50438918 (CHEMBL2094689 | DNDI1417416 | US9073941, 606) Show SMILES COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188323 (US9073941, Table 12, 1) Show SMILES CCOC(=O)\C=C/CBr Show InChI InChI=1S/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188216 (US9073941, 202) Show SMILES Nc1c(Br)cc(Br)c2nsnc12 Show InChI InChI=1S/C6H3Br2N3S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H,9H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188212 (US9073941, 101) Show SMILES OC1(O)c2ccccc2C(=O)[C@@]1(O)[C@@]1(O)C(=O)c2ccccc2C1(O)O |r| Show InChI InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H/t15-,16+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188222 (US9073941, 501) Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C20H28N4O3S/c1-15(2)23-13-19(22-14-23)28(26,27)24-10-8-18(9-11-24)20(25)21-12-17-6-4-16(3)5-7-17/h4-7,13-15,18H,8-12H2,1-3H3,(H,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188307 (US9073941, 1002) Show SMILES C=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H15N5O2S/c1-2-12-25-19(24-28(26,27)14-8-4-3-5-9-14)15(13-21)18-20(25)23-17-11-7-6-10-16(17)22-18/h2-11,24H,1,12H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188217 (US9073941, 203) Show SMILES Nc1c(O)ccc2nsnc12 Show InChI InChI=1S/C6H5N3OS/c7-5-4(10)2-1-3-6(5)9-11-8-3/h1-2,10H,7H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM54927 (4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...) Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O |t:2| Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM30768 (2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-py...) Show SMILES COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H27N5O2/c1-13(2)9-10-22-20(26)16-17-19(25(18(16)21)11-6-12-27-3)24-15-8-5-4-7-14(15)23-17/h4-5,7-8,13H,6,9-12,21H2,1-3H3,(H,22,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188314 (US9073941, 1013) Show SMILES Cn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc12 Show InChI InChI=1S/C19H17N5O/c1-24-17(20)15(19(25)21-11-12-7-3-2-4-8-12)16-18(24)23-14-10-6-5-9-13(14)22-16/h2-10H,11,20H2,1H3,(H,21,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM76505 (2-(benzenesulfonamido)-1-(3-methoxypropyl)-3-pyrro...) Show SMILES CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12 Show InChI InChI=1S/C23H24N4O5S/c1-3-32-23(28)19-20-22(25-18-13-8-7-12-17(18)24-20)27(14-9-15-31-2)21(19)26-33(29,30)16-10-5-4-6-11-16/h4-8,10-13,26H,3,9,14-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188313 (US9073941, 1010) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1 Show InChI InChI=1S/C25H15ClN6O3/c26-18-11-10-16(12-21(18)32(34)35)25(33)30-23-17(13-27)22-24(29-20-9-5-4-8-19(20)28-22)31(23)14-15-6-2-1-3-7-15/h1-12H,14H2,(H,30,33)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188312 (US9073941, 1009) Show SMILES CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H16BrN5O2/c1-3-11(2)26-18(25-20(27)15-8-9-16(21)28-15)12(10-22)17-19(26)24-14-7-5-4-6-13(14)23-17/h4-9,11H,3H2,1-2H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188311 (US9073941, 1008) Show SMILES COCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C21H16N6O4/c1-31-10-9-26-19(25-21(28)13-5-4-6-14(11-13)27(29)30)15(12-22)18-20(26)24-17-8-3-2-7-16(17)23-18/h2-8,11H,9-10H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188310 (US9073941, 1007) Show SMILES CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C21H18BrN5O2/c1-2-3-6-11-27-19(26-21(28)16-9-10-17(22)29-16)13(12-23)18-20(27)25-15-8-5-4-7-14(15)24-18/h4-5,7-10H,2-3,6,11H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (Mycobacterium tuberculosis)	BDBM188309 (US9073941, 1006) Show SMILES CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H17N5OS/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair

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