Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'feltenberger' and Initial = 'jb'   

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
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421673 (CHEMBL5283441) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421686 (CHEMBL5282194) Show SMILES COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50293150 (CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421679 (CHEMBL5282708) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421671 (CHEMBL5266831) Show SMILES CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421672 (CHEMBL5316225) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421685 (CHEMBL5280226) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN Show InChI InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421687 (CHEMBL5277580) Show SMILES CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421681 (CHEMBL5273566) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO Show InChI InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421683 (CHEMBL5283041) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421676 (CHEMBL5283475) Show SMILES CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421680 (CHEMBL5277737) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421682 (CHEMBL5285809) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421684 (CHEMBL5277619) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421674 (CHEMBL5284844) Show SMILES CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421678 (CHEMBL5286085) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl Show InChI InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421675 (CHEMBL5266857) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421677 (CHEMBL5280561) Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421681 (CHEMBL5273566) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO Show InChI InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421673 (CHEMBL5283441) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421686 (CHEMBL5282194) Show SMILES COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50293150 (CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50293150 (CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421679 (CHEMBL5282708) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421671 (CHEMBL5266831) Show SMILES CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421672 (CHEMBL5316225) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421685 (CHEMBL5280226) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN Show InChI InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421687 (CHEMBL5277580) Show SMILES CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421681 (CHEMBL5273566) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO Show InChI InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421683 (CHEMBL5283041) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421676 (CHEMBL5283475) Show SMILES CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421672 (CHEMBL5316225) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421680 (CHEMBL5277737) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421682 (CHEMBL5285809) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421684 (CHEMBL5277619) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421673 (CHEMBL5283441) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421674 (CHEMBL5284844) Show SMILES CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421674 (CHEMBL5284844) Show SMILES CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421678 (CHEMBL5286085) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl Show InChI InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421671 (CHEMBL5266831) Show SMILES CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PknB (Mycobacterium tuberculosis)	BDBM50421675 (CHEMBL5266857) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421684 (CHEMBL5277619) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421677 (CHEMBL5280561) Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421680 (CHEMBL5277737) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421682 (CHEMBL5285809) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92786 (Di-N-desethylaminodarone) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH3+])c(I)c1 Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin					Assay Description IC50 values of aminodarone analogues using JARID1A PHD3.				Biochemistry 51: 8293-306 (2012) Article DOI: 10.1021/bi3009278 BindingDB Entry DOI: 10.7270/Q2028Q4T
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM92787 (WAG-003) Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](C)(C)C)c(I)c1 Show InChI InChI=1S/C24H28I2NO3/c1-5-6-10-21-22(17-9-7-8-11-20(17)30-21)23(28)16-14-18(25)24(19(26)15-16)29-13-12-27(2,3)4/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin					Assay Description IC50 values of aminodarone analogues using JARID1A PHD3.				Biochemistry 51: 8293-306 (2012) Article DOI: 10.1021/bi3009278 BindingDB Entry DOI: 10.7270/Q2028Q4T
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421675 (CHEMBL5266857) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421683 (CHEMBL5283041) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50421679 (CHEMBL5282708) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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