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
222178	C[C@H]1OC(=N[C@@H]1C(=O)N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1	LHJFXHHBUCCXIF-OSPHWJPCSA-N	104011	Fluvibactin	Neutrophil gelatinase-associated lipocalin	Homo sapiens			 34				7.4		Curated from the literature by BindingDB	10.1021/cb4002552	10.7270/Q2S1815S	23755875	aid1800100		Allred, BE; Correnti, C; Clifton, MC; Strong, RK; Raymond, KN	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=104011	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5710&target=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=104011&enzyme=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search	1OD	4K19	10100441	172541771						ZINC03936138	1	MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG	1DFV,1NGL,5N47	Neutrophil gelatinase-associated lipocalin	NGAL_HUMAN	P80188	A6NII8 B4DWV4 B7ZAA2 P30150 Q5SYV9 Q5SYW0 Q6FGL5 Q92683						
222179	C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O	InChI=1S/C31H36N4O11/c1-17(36)24(34-30(45)20-9-4-12-23(39)27(20)42)31(46)35(15-5-13-32-28(43)18-7-2-10-21(37)25(18)40)16-6-14-33-29(44)19-8-3-11-22(38)26(19)41/h2-4,7-12,17,24,36-42H,5-6,13-16H2,1H3,(H,32,43)(H,33,44)(H,34,45)/t17-,24+/m1/s1	MWFRACPJMTUCLE-OSPHWJPCSA-N	104012	Fluvibactin A	Neutrophil gelatinase-associated lipocalin	Homo sapiens			 12				7.4		Curated from the literature by BindingDB	10.1021/cb4002552	10.7270/Q2S1815S	23755875	aid1800100		Allred, BE; Correnti, C; Clifton, MC; Strong, RK; Raymond, KN	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=104012	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5710&target=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=104012&enzyme=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search			72836889	172541772						ZINC96174844	1	MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG	1DFV,1NGL,5N47	Neutrophil gelatinase-associated lipocalin	NGAL_HUMAN	P80188	A6NII8 B4DWV4 B7ZAA2 P30150 Q5SYV9 Q5SYW0 Q6FGL5 Q92683						
222180	C[C@H]1OC(=NC1C(=O)CCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(O[C@@H]1C)c1cccc(O)c1O)c1cccc(O)c1O	InChI=1S/C36H40N4O11/c1-19-28(38-34(50-19)22-10-6-14-26(43)31(22)46)24(41)12-3-4-17-40(18-8-16-37-33(48)21-9-5-13-25(42)30(21)45)36(49)29-20(2)51-35(39-29)23-11-7-15-27(44)32(23)47/h5-7,9-11,13-15,19-20,28-29,42-47H,3-4,8,12,16-18H2,1-2H3,(H,37,48)/t19-,20-,28?,29+/m1/s1	IITCHWQSVXZTOJ-VJMXMHLISA-N	104013	Vibriobactin	Neutrophil gelatinase-associated lipocalin	Homo sapiens			 56				7.4		Curated from the literature by BindingDB	10.1021/cb4002552	10.7270/Q2S1815S	23755875	aid1800100		Allred, BE; Correnti, C; Clifton, MC; Strong, RK; Raymond, KN	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=104013	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5710&target=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=104013&enzyme=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search			72836890	172541773						ZINC96174846	1	MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG	1DFV,1NGL,5N47	Neutrophil gelatinase-associated lipocalin	NGAL_HUMAN	P80188	A6NII8 B4DWV4 B7ZAA2 P30150 Q5SYV9 Q5SYW0 Q6FGL5 Q92683						
222181	C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)O	InChI=1S/C35H43N5O13/c1-18(41)26(38-32(50)21-9-4-12-24(44)29(21)47)34(52)37-15-7-17-40(16-6-14-36-31(49)20-8-3-11-23(43)28(20)46)35(53)27(19(2)42)39-33(51)22-10-5-13-25(45)30(22)48/h3-5,8-13,18-19,26-27,41-48H,6-7,14-17H2,1-2H3,(H,36,49)(H,37,52)(H,38,50)(H,39,51)/t18-,19-,26+,27+/m1/s1	USXXFOOKIWMLAD-QCOILQKOSA-N	104014	Vibriobactin A	Neutrophil gelatinase-associated lipocalin	Homo sapiens			 18				7.4		Curated from the literature by BindingDB	10.1021/cb4002552	10.7270/Q2S1815S	23755875	aid1800100		Allred, BE; Correnti, C; Clifton, MC; Strong, RK; Raymond, KN	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=104014	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5710&target=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=104014&enzyme=Neutrophil+gelatinase-associated+lipocalin&column=ki&startPg=0&Increment=50&submit=Search			72836891	172541774						ZINC96174847	1	MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNAILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSYPGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDG	1DFV,1NGL,5N47	Neutrophil gelatinase-associated lipocalin	NGAL_HUMAN	P80188	A6NII8 B4DWV4 B7ZAA2 P30150 Q5SYV9 Q5SYW0 Q6FGL5 Q92683