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
51419909	CC[C@@H](\C=C\C(O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]1C)[C@@H](C)[C@@H](O)[C@H](C)[C@]1(C[C@@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](CC)[C@@H](C)O1)OC)[C@@H](C)O	InChI=1S/C49H80O14/c1-13-36(33(9)50)23-24-38(51)29(5)44(55)30(6)47-27(3)19-15-17-22-42(54)62-48(28(4)20-16-18-21-41(53)61-47)31(7)45(56)32(8)49(58-12)26-40(37(14-2)34(10)63-49)60-43-25-39(52)46(57)35(11)59-43/h15-24,27-40,43-48,50-52,55-57H,13-14,25-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+,24-23+/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38?,39-,40+,43-,44-,45+,46+,47-,48-,49+/m0/s1	PVBQQUMUUNWFAH-GKIUGWBJSA-N	50573522	CHEMBL4873009	Calcineurin subunit B type 1			 24000							ChEMBL	10.1021/acs.jnatprod.1c00118	10.7270/Q2XK8KCV	33973788			Xu, J; Zhang, X; Huang, F; Li, G; Leadlay, PF	Hainan University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50573522	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001067&target=Calcineurin+subunit+B+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50573522&enzyme=Calcineurin+subunit+B+type+1&column=ki&startPg=0&Increment=50&submit=Search			164624777	471063667							1	MGNEASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKMVVDV	1M63,1MF8,1TCO,2P6B,3LL8,4F0Z,4OR9,4ORA,4ORB,4ORC,5SVE,6NUC,6NUF,6NUU,7U0T	Calcineurin subunit B type 1	CANB1_HUMAN	P63098	B2RC10 B5MDU4 P06705 P15117 Q08044 Q53SL0						
51419910	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C	InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PMATZTZNYRCHOR-CGLBZJNRSA-N	50022815	(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone::30-Ethyl-33-((E)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone::CYCLOSPORINE::Cyclosporin A::Cyclosporine A::Cyclosproine A::US10077289, Compound Cyclosporin A::US9138393, Cyclosporin A	Calcineurin subunit B type 1			 34000							ChEMBL	10.1021/acs.jnatprod.1c00118	10.7270/Q2XK8KCV	33973788			Xu, J; Zhang, X; Huang, F; Li, G; Leadlay, PF	Hainan University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50022815	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001067&target=Calcineurin+subunit+B+type+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50022815&enzyme=Calcineurin+subunit+B+type+1&column=ki&startPg=0&Increment=50&submit=Search			5284373	103933370	4031				C05086		1	MGNEASYPLEMCSHFDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNPLVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELFQVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKMVVDV	1M63,1MF8,1TCO,2P6B,3LL8,4F0Z,4OR9,4ORA,4ORB,4ORC,5SVE,6NUC,6NUF,6NUU,7U0T	Calcineurin subunit B type 1	CANB1_HUMAN	P63098	B2RC10 B5MDU4 P06705 P15117 Q08044 Q53SL0