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
126714	CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12	InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)	KUBMZACOYLSMLR-UHFFFAOYSA-N	68275	Methyl-CoA disulfide 1	3-oxoacyl-[acyl-carrier-protein] synthase 3	Mycobacterium tuberculosis		>3.00e+5					7	37.00 C	Curated from the literature by BindingDB	10.1016/j.chembiol.2007.03.013	10.7270/Q2WW7G3F	17524982	aid1799521		Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA	Portland State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68275	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4805&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68275&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search			53348114	125082289					C15496	ZINC96129798	1	MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG	1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1	Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III	FABH_MYCTO	P9WNG2	L0T424 O06399 P0A574						
126715	CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12	InChI=1S/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)	JMZWREQDAUZHOL-UHFFFAOYSA-N	68274	Butyl-CoA disulfide 2	3-oxoacyl-[acyl-carrier-protein] synthase 3	Mycobacterium tuberculosis		>3.00e+5					7	37.00 C	Curated from the literature by BindingDB	10.1016/j.chembiol.2007.03.013	10.7270/Q2WW7G3F	17524982	aid1799521		Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA	Portland State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68274	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4805&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68274&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search			53348113	125082288					C15496	ZINC96129796	1	MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG	1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1	Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III	FABH_MYCTO	P9WNG2	L0T424 O06399 P0A574						
126716	CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12	InChI=1S/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)	JYOWRSCTKIUUIO-UHFFFAOYSA-N	68276	Sec-butyl-CoA disulfide 3	3-oxoacyl-[acyl-carrier-protein] synthase 3	Mycobacterium tuberculosis		>3.00e+5					7	37.00 C	Curated from the literature by BindingDB	10.1016/j.chembiol.2007.03.013	10.7270/Q2WW7G3F	17524982	aid1799521		Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA	Portland State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68276	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4805&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68276&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search			53348115	125082290					C15496	ZINC96129802	1	MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG	1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1	Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III	FABH_MYCTO	P9WNG2	L0T424 O06399 P0A574						
126717	CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12	InChI=1S/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42)	NIDDFBXEZXBZFV-UHFFFAOYSA-N	68277	Octyl-CoA disulfide 4	3-oxoacyl-[acyl-carrier-protein] synthase 3	Mycobacterium tuberculosis		 3.01e+4					7	37.00 C	Curated from the literature by BindingDB	10.1016/j.chembiol.2007.03.013	10.7270/Q2WW7G3F	17524982	aid1799521		Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA	Portland State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68277	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4805&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68277&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search			53348116	125082291					C15496		1	MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG	1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1	Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III	FABH_MYCTO	P9WNG2	L0T424 O06399 P0A574						
126718	CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12	InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44)	UHUDQARCYMCRIL-UHFFFAOYSA-N	68278	Decyl-CoA disulfide 5	3-oxoacyl-[acyl-carrier-protein] synthase 3	Mycobacterium tuberculosis		 1.2e+3					7	37.00 C	Curated from the literature by BindingDB	10.1016/j.chembiol.2007.03.013	10.7270/Q2WW7G3F	17524982	aid1799521		Alhamadsheh, MM; Musayev, F; Komissarov, AA; Sachdeva, S; Wright, HT; Scarsdale, N; Florova, G; Reynolds, KA	Portland State University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68278	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=4805&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=68278&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search			53348117	125082292					C15496		1	MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG	1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1	Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III	FABH_MYCTO	P9WNG2	L0T424 O06399 P0A574