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
50175308	C[C@H](\C=C\[C@H]1CC[C@@]2(CC[C@H]3O[C@H](CO)C(=C)[C@@H](O)[C@@H]3O2)O1)[C@@H]1CC(C)=C[C@@]2(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]2O)O1	InChI=1S/C31H46O11/c1-17-13-23(41-31(14-17)25(33)8-7-21(40-31)15-29(4,37)28(35)36)18(2)5-6-20-9-11-30(39-20)12-10-22-27(42-30)26(34)19(3)24(16-32)38-22/h5-6,14,18,20-27,32-34,37H,3,7-13,15-16H2,1-2,4H3,(H,35,36)/b6-5+/t18-,20+,21+,22-,23+,24-,25?,26-,27-,29-,30-,31-/m1/s1	APPVRRNFLWXNBI-AYHLHDBMSA-N	50097633	CHEMBL2368224::okadaic acid analogue	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	Homo sapiens		 304							ChEMBL	10.1016/s0960-894x(01)00026-9	10.7270/Q2N29W62	11266161			Frydrychowski, VA; Urbanek, RA; Dounay, AB; Forsyth, CJ	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50097633	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002266&target=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50097633&enzyme=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search			73351415	103994841		CHEMBL2368224CHEMBL346552				ZINC43919900	1	MDEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEPHVTRRTPDYFL	2IE4,2NPP,2NYL,2NYM,3C5W,3DW8,3K7V,3K7W,4I5L,4I5N,4LAC,5W0W,6NTS,7CUN,7K36,7SOY,7YCX	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	PP2AA_HUMAN	P67775	P05323 P13197						
50175311	C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CCCO3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C	InChI=1S/C26H42O7/c1-16-7-11-25(9-4-5-13-29-25)32-22(16)17(2)15-19(27)23-18(3)21(28)24-20(31-23)8-12-26(33-24)10-6-14-30-26/h16-17,19-24,27-28H,3-15H2,1-2H3/t16-,17+,19+,20-,21-,22+,23+,24-,25+,26-/m1/s1	ZTLXSOXMBQCJHM-YXEOJBFZSA-N	50097635	CHEMBL158922::okadaic acid analogue	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	Homo sapiens		>1000000							ChEMBL	10.1016/s0960-894x(01)00026-9	10.7270/Q2N29W62	11266161			Frydrychowski, VA; Urbanek, RA; Dounay, AB; Forsyth, CJ	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50097635	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002266&target=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50097635&enzyme=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search			44372867	103994843		CHEMBL158922				ZINC27729415	1	MDEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEPHVTRRTPDYFL	2IE4,2NPP,2NYL,2NYM,3C5W,3DW8,3K7V,3K7W,4I5L,4I5N,4LAC,5W0W,6NTS,7CUN,7K36,7SOY,7YCX	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	PP2AA_HUMAN	P67775	P05323 P13197						
50175312	C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C	InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35?,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1	QNDVLZJODHBUFM-OJJKZNIHSA-N	50097634	CHEMBL158524::OKADAIC ACID::okadaic acid analogue	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	Homo sapiens		 7							ChEMBL	10.1016/s0960-894x(01)00026-9	10.7270/Q2N29W62	11266161			Frydrychowski, VA; Urbanek, RA; Dounay, AB; Forsyth, CJ	University of Minnesota	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50097634	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002266&target=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50097634&enzyme=Serine%2Fthreonine-protein+phosphatase+2A+catalytic+subunit+alpha+isoform&column=ki&startPg=0&Increment=50&submit=Search	OKA	1JK7,1U32,4WRI,2IE4	446512	103994842		CHEMBL158524			C01945	ZINC95606019	1	MDEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEPHVTRRTPDYFL	2IE4,2NPP,2NYL,2NYM,3C5W,3DW8,3K7V,3K7W,4I5L,4I5N,4LAC,5W0W,6NTS,7CUN,7K36,7SOY,7YCX	Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform	PP2AA_HUMAN	P67775	P05323 P13197