BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
50510984	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O	InChI=1S/C20H24N10O6S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(35-19)1-37-38-2-8-12(32)14(34)20(36-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1	HYGRWPFOTXXMNB-XPWFQUROSA-N	50295362	(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL]::CHEMBL561654::di(adenosin-5'-yl)disulfide	NAD kinase	Mycobacterium tuberculosis		 45000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295362	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295362&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	DTA	2Q5F,2I2C	16741199	104136893		CHEMBL561654			C15496	ZINC16052163	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6						
50510985	NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O	InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1	JIHGLORHRJMYSK-QZTLEVGFSA-N	50295363	(tiazofurin-5'-yl)(adenosin-5'-yl)disulfide::CHEMBL559921	NAD kinase	Mycobacterium tuberculosis		 80000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295363	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295363&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search			45268144	104136894		CHEMBL559921			C15496	ZINC70631576	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6						
50510986	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(Br)nc3c(N)ncnc23)[C@@H](O)[C@H]1O	InChI=1S/C20H23BrN10O6S2/c21-20-29-9-15(23)25-4-27-17(9)31(20)19-13(35)11(33)7(37-19)2-39-38-1-6-10(32)12(34)18(36-6)30-5-28-8-14(22)24-3-26-16(8)30/h3-7,10-13,18-19,32-35H,1-2H2,(H2,22,24,26)(H2,23,25,27)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	GZSOOCRRNBOFFJ-INFSMZHSSA-N	50295364	(8-Bromoadenosine-5'-yl)(adenosine-5'-yl)disulfide::CHEMBL560315	NAD kinase	Mycobacterium tuberculosis		 14000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295364	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295364&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search			44517714	104136895		CHEMBL560315			C15496	ZINC96307606	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6						
50510987	Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(Br)nc12	InChI=1S/C20H22Br2N10O6S2/c21-19-29-7-13(23)25-3-27-15(7)31(19)17-11(35)9(33)5(37-17)1-39-40-2-6-10(34)12(36)18(38-6)32-16-8(30-20(32)22)14(24)26-4-28-16/h3-6,9-12,17-18,33-36H,1-2H2,(H2,23,25,27)(H2,24,26,28)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1	XCFYBTAPNKJBFG-MHARETSRSA-N	50295365	CHEMBL562056::Di(8-bromoadenosine-5'-yl)disulfide	NAD kinase	Mycobacterium tuberculosis		 19000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295365	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295365&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search			44517715	104136896		CHEMBL562056			C15496	ZINC96307607	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6						
50510988	C[C@@]1(O)[C@H](O)[C@@H](CSSC[C@H]2O[C@@H](n3cnc4c(N)ncnc34)[C@](C)(O)[C@@H]2O)O[C@H]1n1cnc2c(N)ncnc12	InChI=1S/C22H28N10O6S2/c1-21(35)13(33)9(37-19(21)31-7-29-11-15(23)25-5-27-17(11)31)3-39-40-4-10-14(34)22(2,36)20(38-10)32-8-30-12-16(24)26-6-28-18(12)32/h5-10,13-14,19-20,33-36H,3-4H2,1-2H3,(H2,23,25,27)(H2,24,26,28)/t9-,10-,13-,14-,19-,20-,21-,22-/m1/s1	GBHNTOFQWLCOKG-ANCNUQDPSA-N	50295366	CHEMBL558497::Di(2'-C-methyladenosine-5'-yl)disulfide	NAD kinase	Mycobacterium tuberculosis		 500000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50295366	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50295366&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search			45273295	104136897		CHEMBL558497			C15496	ZINC70631577	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6						
50510989	NC(=O)c1cccc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O	InChI=1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1	HNKKJJHKTPALEK-RACQCECLSA-N	50203628	Benzamide adenine dinucleotide::CHEMBL233434::benzamideadeninedinucleoside	NAD kinase	Mycobacterium tuberculosis		 200000							ChEMBL	10.1016/j.bmc.2009.06.013	10.7270/Q2T153N2	19596199			Petrelli, R; Sham, YY; Chen, L; Felczak, K; Bennett, E; Wilson, D; Aldrich, C; Yu, JS; Cappellacci, L; Franchetti, P; Grifantini, M; Mazzola, F; Di Stefano, M; Magni, G; Pankiewicz, KW	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203628	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004402&target=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203628&enzyme=NAD+kinase&column=ki&startPg=0&Increment=50&submit=Search			158378	104082709		CHEMBL233434			C01469	ZINC49946796	1	MTAHRSVLLVVHTGRDEATETARRVEKVLGDNKIALRVLSAEAVDRGSLHLAPDDMRAMGVEIEVVDADQHAADGCELVLVLGGDGTFLRAAELARNASIPVLGVNLGRIGFLAEAEAEAIDAVLEHVVAQDYRVEDRLTLDVVVRQGGRIVNRGWALNEVSLEKGPRLGVLGVVVEIDGRPVSAFGCDGVLVSTPTGSTAYAFSAGGPVLWPDLEAILVVPNNAHALFGRPMVTSPEATIAIEIEADGHDALVFCDGRREMLIPAGSRLEVTRCVTSVKWARLDSAPFTDRLVRKFRLPVTGWRGK	1U0R,1U0T,1Y3I	NAD kinase	NADK_MYCTU	P9WHV7	L0T903 O33196 P0A5S6