Compile Data Set for Download or QSAR

Found 253 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM199180 (US9217012, 10) Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O Show InChI InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	7.0	25
Indiana University Research and Technology Corporation US Patent					Assay Description PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...				US Patent US9217012 (2015) BindingDB Entry DOI: 10.7270/Q2FX788H
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50131547 (2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(m...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H36ClN3O11/c1-4-21-15-20(11-12-25(21)38(31(42)33(45)46)26-10-6-5-9-23(26)32(43)44)16-24(37-19(2)39)30(41)36-13-7-8-14-49-28-18-22(35)17-27(40)29(28)34(47)48-3/h5-6,9-12,15,17-18,24,40H,4,7-8,13-14,16H2,1-3H3,(H,36,41)(H,37,39)(H,43,44)(H,45,46)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against (calcineurin) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM21280 (5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Recherche Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 644-50 (1998) BindingDB Entry DOI: 10.7270/Q2D50KHT
					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase PP1-alpha catalytic subunit (Homo sapiens (Human))	BDBM50126635 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)ethoxy]-5...) Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 Show InChI InChI=1S/C18H23N3O7S2/c1-13-10-14(26-8-5-9-27-21-18(19)20)12-15(11-13)28-30(24,25)17-7-4-3-6-16(17)29(2,22)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound was tested against serine protease Urokinase				Bioorg Med Chem Lett 13: 1495-8 (2003) Article DOI: 10.1016/s0960-894x(03)00125-2 BindingDB Entry DOI: 10.7270/Q2668CJ9
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131868 (7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...) Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12 Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131866 (7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...) Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12 Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50131545 ((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against (calcineurin) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131860 (6-Phosphono-hexanoic acid | CHEMBL122539) Show SMILES OC(=O)CCCCCP(O)(O)=O Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131863 (CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...) Show SMILES OP(O)(=S)CSc1ccccc1 Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131861 (Benzyl-phosphonothioic acid | CHEMBL123163) Show SMILES OP(O)(=S)Cc1ccccc1 Show InChI InChI=1S/C7H9O2PS/c8-10(9,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131862 (CHEMBL122938 | methylphosphonic acid) Show SMILES CP(O)(O)=O Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131865 (6-Thiophosphono-hexanoic acid methyl ester | CHEMB...) Show SMILES COC(=O)CCCCCP(O)(O)=S Show InChI InChI=1S/C7H15O4PS/c1-11-7(8)5-3-2-4-6-12(9,10)13/h2-6H2,1H3,(H2,9,10,13)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131871 (CHEMBL122097 | Methylsulfanylmethyl-phosphonothioi...) Show SMILES CSCP(O)(O)=S Show InChI InChI=1S/C2H7O2PS2/c1-7-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131867 (6-Thiophosphono-hexanoic acid | CHEMBL123990) Show SMILES OC(=O)CCCCCP(O)(O)=S Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131869 (CHEMBL122577 | Methyl-phosphonothioic acid) Show SMILES CP(O)(O)=S Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEBI CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Enterobacteria phage lambda)	BDBM50131870 (Butyl-phosphonothioic acid | CHEMBL331046) Show SMILES CCCCP(O)(O)=S Show InChI InChI=1S/C4H11O2PS/c1-2-3-4-7(5,6)8/h2-4H2,1H3,(H2,5,6,8)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Utah State University Curated by ChEMBL					Assay Description Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)				J Med Chem 46: 3703-8 (2003) Article DOI: 10.1021/jm030106f BindingDB Entry DOI: 10.7270/Q2MG7NXN
					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit, alpha isoform (Homo sapiens (Human))	BDBM50110676 (CHEMBL280487 | okadaic acid) Show SMILES 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 Show InChI 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	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of purified catalytic subunit of protein phosphatase-2A from human erythrocytes				Bioorg Med Chem Lett 3: 1029-1034 (1993) Article DOI: 10.1016/S0960-894X(00)80281-4 BindingDB Entry DOI: 10.7270/Q2125T5P
					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit, alpha isoform (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O Show InChI InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of purified catalytic subunit of protein phosphatase-2A from human erythrocytes				Bioorg Med Chem Lett 3: 1029-1034 (1993) Article DOI: 10.1016/S0960-894X(00)80281-4 BindingDB Entry DOI: 10.7270/Q2125T5P
					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit, alpha isoform (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 | Calyculin-A) Show SMILES COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(\C=C\C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of purified catalytic subunit of protein phosphatase-2A from human erythrocytes				Bioorg Med Chem Lett 3: 1029-1034 (1993) Article DOI: 10.1016/S0960-894X(00)80281-4 BindingDB Entry DOI: 10.7270/Q2125T5P
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40777 (Hemicalyculin A (5)) Show SMILES CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\C#N)O2)C(C)(C)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C36H55N2O10P/c1-22(16-18-38)13-12-14-23(2)24(3)19-25(4)32(41)27(6)28(39)20-31(45-9)33-34(48-49(42,43)44)35(7,8)36(47-33)21-29(40)26(5)30(46-36)15-10-11-17-37/h10-14,16,19,25-34,39-41H,15,20-21H2,1-9H3,(H2,42,43,44)/b11-10+,13-12+,22-16+,23-14+,24-19+/t25?,26-,27?,28-,29+,30?,31-,32+,33+,34-,36?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40776 (Calyculin A (4) | Calyculin B (19) | Calyculin E (...) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40787 (Des-N-methylcalyculin A (20)) Show SMILES CN[C@@H](COC)C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1 Show InChI InChI=1S/C49H79N4O15P/c1-28(19-21-50)15-13-16-29(2)31(4)23-32(5)41(56)34(7)37(54)24-40(64-12)44-45(68-69(60,61)62)48(8,9)49(67-44)25-38(55)33(6)39(66-49)18-14-17-35-26-65-47(53-35)30(3)20-22-52-46(59)43(58)42(57)36(51-10)27-63-11/h13-17,19,23,26,30,32-34,36-45,51,54-58H,18,20,22,24-25,27H2,1-12H3,(H,52,59)(H2,60,61,62)/b15-13+,17-14+,28-19+,29-16+,31-23+/t30?,32?,33-,34?,36-,37-,38+,39?,40-,41+,42?,43-,44+,45-,49?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40782 (C1/C34-Calyculin A (15)) Show SMILES CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\c3coc(n3)C(C)CCNC(=O)CO)O2)C(C)(C)[C@H]1OP(O)(O)=O Show InChI InChI=1S/C44H68N3O13P/c1-26(17-19-45)13-11-14-27(2)29(4)21-30(5)39(52)32(7)34(49)22-37(56-10)40-41(60-61(53,54)55)43(8,9)44(59-40)23-35(50)31(6)36(58-44)16-12-15-33-25-57-42(47-33)28(3)18-20-46-38(51)24-48/h11-15,17,21,25,28,30-32,34-37,39-41,48-50,52H,16,18,20,22-24H2,1-10H3,(H,46,51)(H2,53,54,55)/b13-11+,15-12+,26-17+,27-14+,29-21+/t28?,30?,31-,32?,34-,35+,36?,37-,39+,40+,41-,44?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40785 (Calyculinamide A (18)) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C(N)=O)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22+,29-17+,31-23+/t30?,32?,33-,34?,36-,37-,38+,39?,40-,42+,43?,44-,45+,46-,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40780 (Calyculin A 21-acetate (13)) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](OC(C)=O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C52H83N4O16P/c1-30(21-23-53)17-15-18-31(2)33(4)25-34(5)44(59)35(6)40(58)26-42(67-14)47-48(72-73(63,64)65)51(9,10)52(71-47)27-43(69-37(8)57)36(7)41(70-52)20-16-19-38-28-68-50(55-38)32(3)22-24-54-49(62)46(61)45(60)39(29-66-13)56(11)12/h15-19,21,25,28,32,34-36,39-48,58-61H,20,22,24,26-27,29H2,1-14H3,(H,54,62)(H2,63,64,65)/b17-15+,19-16+,30-21+,31-18+,33-25+/t32?,34?,35?,36-,39+,40+,41?,42+,43-,44-,45?,46+,47-,48+,52?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40790 (Calyculin C (24)) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NC(C)CC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C51H83N4O15P/c1-29(21-22-52)17-15-18-30(2)31(3)23-32(4)43(58)36(8)39(56)25-42(66-14)46-47(70-71(62,63)64)50(9,10)51(69-46)26-40(57)35(7)41(68-51)20-16-19-37-27-67-49(54-37)33(5)24-34(6)53-48(61)45(60)44(59)38(28-65-13)55(11)12/h15-19,21,23,27,32-36,38-47,56-60H,20,24-26,28H2,1-14H3,(H,53,61)(H2,62,63,64)/b17-15+,19-16+,29-21+,30-18+,31-23+/t32?,33?,34?,35-,36?,38-,39-,40+,41?,42-,43+,44?,45-,46+,47-,51?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079775 (17-Ethyl-1,14-dihydroxy-12-{2-[4-(2-hydroxy-2-naph...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC Show InChI InChI=1S/C55H79NO13/c1-10-38-24-32(2)23-33(3)25-48(65-8)51-49(66-9)27-35(5)55(63,69-51)52(60)53(61)56-22-14-13-17-42(56)54(62)68-50(36(6)43(57)30-44(38)58)34(4)26-37-18-21-46(47(28-37)64-7)67-31-45(59)41-20-19-39-15-11-12-16-40(39)29-41/h11-12,15-16,19-20,24,26,29,33,35-38,42-43,45-51,57,59,63H,10,13-14,17-18,21-23,25,27-28,30-31H2,1-9H3/b32-24+,34-26+/t33-,35+,36+,37?,38+,42-,43+,45+,46+,47+,48-,49-,50+,51+,55+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079784 (12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cc3ccccc3s2)[C@@H](C1)OC Show InChI InChI=1S/C53H77NO13S/c1-10-36-22-30(2)21-31(3)23-44(63-8)49-45(64-9)25-33(5)53(61,67-49)50(58)51(59)54-20-14-13-16-38(54)52(60)66-48(34(6)39(55)28-40(36)56)32(4)24-35-18-19-42(43(26-35)62-7)65-29-41(57)47-27-37-15-11-12-17-46(37)68-47/h11-12,15,17,22,24,27,31,33-36,38-39,41-45,48-49,55,57,61H,10,13-14,16,18-21,23,25-26,28-29H2,1-9H3/b30-22+,32-24+/t31-,33+,34+,35?,36+,38-,39+,41+,42+,43+,44-,45-,48+,49+,53+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079783 (12-{2-[4-(2-Benzo[b]thiophen-2-yl-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2cc3ccccc3s2)[C@@H](C1)OC Show InChI InChI=1S/C53H77NO13S/c1-10-36-22-30(2)21-31(3)23-44(63-8)49-45(64-9)25-33(5)53(61,67-49)50(58)51(59)54-20-14-13-16-38(54)52(60)66-48(34(6)39(55)28-40(36)56)32(4)24-35-18-19-42(43(26-35)62-7)65-29-41(57)47-27-37-15-11-12-17-46(37)68-47/h11-12,15,17,22,24,27,31,33-36,38-39,41-45,48-49,55,57,61H,10,13-14,16,18-21,23,25-26,28-29H2,1-9H3/b30-22+,32-24+/t31-,33+,34+,35?,36+,38-,39+,41-,42+,43+,44-,45-,48+,49+,53+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079776 (17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-t...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC Show InChI InChI=1S/C52H76F3NO13/c1-10-35-21-29(2)20-30(3)22-44(65-8)47-45(66-9)24-32(5)51(63,69-47)48(60)49(61)56-19-12-11-16-38(56)50(62)68-46(33(6)39(57)27-40(35)58)31(4)23-34-17-18-42(43(25-34)64-7)67-28-41(59)36-14-13-15-37(26-36)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-47,57,59,63H,10-12,16-20,22,24-25,27-28H2,1-9H3/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39+,41+,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079782 (17-Ethyl-1,14-dihydroxy-12-(2-{4-[2-hydroxy-2-(3-t...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2cccc(c2)C(F)(F)F)[C@@H](C1)OC Show InChI InChI=1S/C52H76F3NO13/c1-10-35-21-29(2)20-30(3)22-44(65-8)47-45(66-9)24-32(5)51(63,69-47)48(60)49(61)56-19-12-11-16-38(56)50(62)68-46(33(6)39(57)27-40(35)58)31(4)23-34-17-18-42(43(25-34)64-7)67-28-41(59)36-14-13-15-37(26-36)52(53,54)55/h13-15,21,23,26,30,32-35,38-39,41-47,57,59,63H,10-12,16-20,22,24-25,27-28H2,1-9H3/b29-21+,31-23+/t30-,32+,33+,34?,35+,38-,39+,41-,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079770 (C32-O-Phenalkyl ether derivative of Ascomycin | CH...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCCc2ccccc2)[C@@H](C1)OC Show InChI InChI=1S/C51H77NO12/c1-10-38-25-31(2)24-32(3)26-44(60-8)47-45(61-9)28-34(5)51(58,64-47)48(55)49(56)52-22-15-14-18-39(52)50(57)63-46(35(6)40(53)30-41(38)54)33(4)27-37-19-20-42(43(29-37)59-7)62-23-21-36-16-12-11-13-17-36/h11-13,16-17,25,27,32,34-35,37-40,42-47,53,58H,10,14-15,18-24,26,28-30H2,1-9H3/b31-25+,33-27+/t32-,34+,35+,37-,38+,39-,40-,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for inhibition of serine/threonine protein phosphatase calcineurin (CAN)				Bioorg Med Chem Lett 9: 2085-8 (1999) Article DOI: 10.1016/s0960-894x(99)00335-2 BindingDB Entry DOI: 10.7270/Q22806SS
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079778 (12-(2-{4-[2-(3,4-Difluoro-phenyl)-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC Show InChI InChI=1S/C51H75F2NO13/c1-10-34-20-28(2)19-29(3)21-44(63-8)47-45(64-9)23-31(5)51(61,67-47)48(58)49(59)54-18-12-11-13-38(54)50(60)66-46(32(6)39(55)26-40(34)56)30(4)22-33-14-17-42(43(24-33)62-7)65-27-41(57)35-15-16-36(52)37(53)25-35/h15-16,20,22,25,29,31-34,38-39,41-47,55,57,61H,10-14,17-19,21,23-24,26-27H2,1-9H3/b28-20+,30-22+/t29-,31+,32+,33?,34+,38-,39+,41+,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079779 (17-Ethyl-1,14-dihydroxy-12-{2-[4-(2-hydroxy-2-naph...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2ccc3ccccc3c2)[C@@H](C1)OC Show InChI InChI=1S/C55H79NO13/c1-10-38-24-32(2)23-33(3)25-48(65-8)51-49(66-9)27-35(5)55(63,69-51)52(60)53(61)56-22-14-13-17-42(56)54(62)68-50(36(6)43(57)30-44(38)58)34(4)26-37-18-21-46(47(28-37)64-7)67-31-45(59)41-20-19-39-15-11-12-16-40(39)29-41/h11-12,15-16,19-20,24,26,29,33,35-38,42-43,45-51,57,59,63H,10,13-14,17-18,21-23,25,27-28,30-31H2,1-9H3/b32-24+,34-26+/t33-,35+,36+,37?,38+,42-,43+,45-,46+,47+,48-,49-,50+,51+,55+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40776 (Calyculin A (4) | Calyculin B (19) | Calyculin E (...) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079780 (12-(2-{4-[2-(3,5-Dimethyl-phenyl)-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC Show InChI InChI=1S/C53H81NO13/c1-12-38-21-30(2)20-33(5)24-46(63-10)49-47(64-11)26-35(7)53(61,67-49)50(58)51(59)54-18-14-13-15-40(54)52(60)66-48(36(8)41(55)28-42(38)56)34(6)25-37-16-17-44(45(27-37)62-9)65-29-43(57)39-22-31(3)19-32(4)23-39/h19,21-23,25,33,35-38,40-41,43-49,55,57,61H,12-18,20,24,26-29H2,1-11H3/b30-21+,34-25+/t33-,35+,36+,37?,38+,40-,41+,43+,44+,45+,46-,47-,48+,49+,53+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin A1, putative (Candida dubliniensis CD36)	BDBM378885 (US10266537, Compound 93) Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-	PDB KEGG UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
St. Chuan University US Patent					Assay Description The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...				US Patent US10266537 (2019) BindingDB Entry DOI: 10.7270/Q21C2065
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079774 (12-(2-{4-[2-(3,5-Dimethyl-phenyl)-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2cc(C)cc(C)c2)[C@@H](C1)OC Show InChI InChI=1S/C53H81NO13/c1-12-38-21-30(2)20-33(5)24-46(63-10)49-47(64-11)26-35(7)53(61,67-49)50(58)51(59)54-18-14-13-15-40(54)52(60)66-48(36(8)41(55)28-42(38)56)34(6)25-37-16-17-44(45(27-37)62-9)65-29-43(57)39-22-31(3)19-32(4)23-39/h19,21-23,25,33,35-38,40-41,43-49,55,57,61H,12-18,20,24,26-29H2,1-11H3/b30-21+,34-25+/t33-,35+,36+,37?,38+,40-,41+,43-,44+,45+,46-,47-,48+,49+,53+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079781 (12-(2-{4-[2-(3,4-Difluoro-phenyl)-2-hydroxy-ethoxy...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OC[C@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC Show InChI InChI=1S/C51H75F2NO13/c1-10-34-20-28(2)19-29(3)21-44(63-8)47-45(64-9)23-31(5)51(61,67-47)48(58)49(59)54-18-12-11-13-38(54)50(60)66-46(32(6)39(55)26-40(34)56)30(4)22-33-14-17-42(43(24-33)62-7)65-27-41(57)35-15-16-36(52)37(53)25-35/h15-16,20,22,25,29,31-34,38-39,41-47,55,57,61H,10-14,17-19,21,23-24,26-27H2,1-9H3/b28-20+,30-22+/t29-,31+,32+,33?,34+,38-,39+,41-,42+,43+,44-,45-,46+,47+,51+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40776 (Calyculin A (4) | Calyculin B (19) | Calyculin E (...) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079767 (C32-O-Phenalkyl ether derivative of Ascomycin | C3...) Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCCCc2ccccc2)[C@@H](C1)OC Show InChI InChI=1S/C52H79NO12/c1-10-39-26-32(2)25-33(3)27-45(61-8)48-46(62-9)29-35(5)52(59,65-48)49(56)50(57)53-23-15-14-20-40(53)51(58)64-47(36(6)41(54)31-42(39)55)34(4)28-38-21-22-43(44(30-38)60-7)63-24-16-19-37-17-12-11-13-18-37/h11-13,17-18,26,28,33,35-36,38-41,43-48,54,59H,10,14-16,19-25,27,29-31H2,1-9H3/b32-26+,34-28+/t33-,35+,36+,38-,39+,40-,41-,43+,44+,45-,46-,47+,48+,52+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for inhibition of serine/threonine protein phosphatase calcineurin (CAN)				Bioorg Med Chem Lett 9: 2085-8 (1999) Article DOI: 10.1016/s0960-894x(99)00335-2 BindingDB Entry DOI: 10.7270/Q22806SS
					More data for this Ligand-Target Pair
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40776 (Calyculin A (4) | Calyculin B (19) | Calyculin E (...) Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50079777 ((E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-All...) Show SMILES CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC Show InChI InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30?,31?,32-,33+,34+,36+,37-,38-,39+,40+,44+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Calcineurin (CaN phosphatase)				Bioorg Med Chem Lett 9: 2089-94 (1999) Article DOI: 10.1016/s0960-894x(99)00336-4 BindingDB Entry DOI: 10.7270/Q2XG9QBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein phosphatase 2A regulatory subunit B' (Homo sapiens (Human))	BDBM40781 (Calyculin J (14)) Show SMILES CC[C@H](O)CC1(OCC\C=C\c2coc(n2)C(C)CCNC(=O)[C@@H](O)C(O)[C@H](COC)N(C)C)O[C@H]([C@H](C[C@H](O)C(C)C2OC(C)([C@H](Br)[C@H]2C)C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C1(C)C Show InChI InChI=1S/C50H82BrN4O15P/c1-14-36(56)27-50(67-25-16-15-20-35-28-66-47(54-35)31(3)22-24-53-46(60)41(59)40(58)37(29-64-12)55(10)11)48(7,8)45(70-71(61,62)63)43(69-50)39(65-13)26-38(57)33(5)42-34(6)44(51)49(9,68-42)32(4)19-17-18-30(2)21-23-52/h15,17-21,28,31,33-34,36-45,56-59H,14,16,22,24-27,29H2,1-13H3,(H,53,60)(H2,61,62,63)/b18-17+,20-15+,30-21+,32-19+/t31?,33?,34-,36-,37-,38-,39-,40?,41-,42?,43+,44+,45-,49?,50?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Protein phosphatase inhibitory activity of calyculin derivatives.				Chem Biol 9: 309-19 (2002) Article DOI: 10.1016/S1074-5521(02)00118-7 BindingDB Entry DOI: 10.7270/Q2W66J5W
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES 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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte...				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM285719 (US10077289, Compound 27 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2cnn(C)c2)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)[C@@H](C)N(C)C1=O)C(C)C Show InChI InChI=1S/C66H117N13O12/c1-26-47-62(87)73(19)45(17)61(86)74(20)49(31-37(4)5)58(83)71-52(40(10)11)65(90)75(21)48(30-36(2)3)57(82)68-43(15)56(81)69-44(16)60(85)76(22)50(32-38(6)7)63(88)77(23)51(33-39(8)9)64(89)78(24)53(41(12)13)66(91)79(25)54(59(84)70-47)55(80)42(14)28-27-29-46-34-67-72(18)35-46/h34-45,47-55,80H,26-33H2,1-25H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/t42-,43?,44?,45-,47?,48?,49+,50?,51?,52?,53?,54-,55-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	53.5	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50323716 (2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...) Show SMILES 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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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 Show InChI InChI=1S/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM285722 (US10077289, Compound 30 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ccncc2)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 Show InChI InChI=1S/C66H114N12O12/c1-24-47-62(86)72(17)36-52(79)73(18)48(32-37(2)3)59(83)71-53(41(10)11)65(89)74(19)49(33-38(4)5)58(82)68-44(15)57(81)69-45(16)61(85)75(20)50(34-39(6)7)63(87)76(21)51(35-40(8)9)64(88)77(22)54(42(12)13)66(90)78(23)55(60(84)70-47)56(80)43(14)26-25-27-46-28-30-67-31-29-46/h28-31,37-45,47-51,53-56,80H,24-27,32-36H2,1-23H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/t43-,44?,45?,47?,48+,49?,50?,51?,53?,54?,55-,56-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	76.5	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM285714 (US10077289, Compound 22 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ncccn2)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)[C@@H](C)N(C)C1=O)C(C)C Show InChI InChI=1S/C66H115N13O12/c1-25-46-62(87)73(18)45(17)61(86)74(19)48(33-37(4)5)58(83)72-52(40(10)11)65(90)75(20)47(32-36(2)3)57(82)69-43(15)56(81)70-44(16)60(85)76(21)49(34-38(6)7)63(88)77(22)50(35-39(8)9)64(89)78(23)53(41(12)13)66(91)79(24)54(59(84)71-46)55(80)42(14)28-26-29-51-67-30-27-31-68-51/h27,30-31,36-50,52-55,80H,25-26,28-29,32-35H2,1-24H3,(H,69,82)(H,70,81)(H,71,84)(H,72,83)/t42-,43?,44?,45-,46?,47?,48+,49?,50?,52?,53?,54-,55-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	80.5	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc US Patent					Assay Description Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair
calcineurin (Homo sapiens (Human))	BDBM50323714 (CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-((...) Show SMILES 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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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 Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte...				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair

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