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Compile Data Set for Download or QSAR

Found 65 hits of affinity data for UniProtKB/TrEMBL: Q4J6C1    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL421377
PNG
((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)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/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
n/an/a 0.3n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL421377
PNG
((10S,13S,18S,19S,22R)-8-Isobutyl-18-((1E,3E)-(5S,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)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/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
n/an/a 3.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL158524
PNG
(okadaic acid analogue)
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)CCC4O)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
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 126.0n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Protein phosphatase 1(10 nM) isolated from rabbit muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CANTHARIDIN
PNG
((1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2...)
Show SMILES C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
Show InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
KEGG
PC cid
PC sid
ZINC 0

Similars


Cmpd Page

AffyNet 
Article
PubMed
n/an/a 430.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
NORCANTHARIDIN
PNG
Show SMILES O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@H]12
Show InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
n/an/a 570.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL318253
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 1000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CANTHARIDIN
PNG
((1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2...)
Show SMILES C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
Show InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
ChEBI
KEGG
PC cid
PC sid
ZINC 0

Similars


Cmpd Page

AffyNet 
Article
PubMed
n/an/a 1780.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Protein phosphatase 1


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
NORCANTHARIDIN
PNG
Show SMILES O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@H]12
Show InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
n/an/a 1980.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Protein phosphatase 1


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL100883
PNG
((S)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyc...)
Show SMILES OC(=O)[C@H](Cc1cnc[nH]1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O
Show InChI InChI=1S/C14H15N3O5/c18-12-10-8-1-2-9(22-8)11(10)13(19)17(12)7(14(20)21)3-6-4-15-5-16-6/h4-5,7-11H,1-3H2,(H,15,16)(H,20,21)/t7-,8-,9+,10-,11+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 2820.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL48076
PNG
((1R,4S)-7-Oxa-bicyclo[2.2.1]heptane-2,3-dicarboxyl...)
Show SMILES CCOC(=O)C1[C@H]2CC[C@H](O2)C1C(O)=O
Show InChI InChI=1S/C10H14O5/c1-2-14-10(13)8-6-4-3-5(15-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)/t5-,6+,7?,8?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 2960.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Protein phosphatase 1


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL100935
PNG
((R)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyc...)
Show SMILES OC(=O)[C@@H](Cc1cnc[nH]1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O
Show InChI InChI=1S/C14H15N3O5/c18-12-10-8-1-2-9(22-8)11(10)13(19)17(12)7(14(20)21)3-6-4-15-5-16-6/h4-5,7-11H,1-3H2,(H,15,16)(H,20,21)/t7-,8-,9+,10-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 3220.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL47665
PNG
((1R,4S)-7-Oxa-bicyclo[2.2.1]heptane-2,3-dicarboxyl...)
Show SMILES COC(=O)C1[C@H]2CC[C@H](O2)C1C(O)=O
Show InChI InChI=1S/C9H12O5/c1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11/h4-7H,2-3H2,1H3,(H,10,11)/t4-,5+,6?,7?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 4710.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Protein phosphatase 1


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL48010
PNG
((1R,4S)-7-Oxa-bicyclo[2.2.1]heptane-2,3-dicarboxyl...)
Show SMILES CCCOC(=O)C1[C@H]2CC[C@H](O2)C1C(O)=O
Show InChI InChI=1S/C11H16O5/c1-2-5-15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h6-9H,2-5H2,1H3,(H,12,13)/t6-,7+,8?,9?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 4820.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant Protein phosphatase 1


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
NORCANTHARIDIN
PNG
Show SMILES O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@H]12
Show InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid

Similars

AffyNet 
Article
PubMed
n/an/a 5310.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL101932
PNG
(((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)NCC(O)=O
Show InChI InChI=1S/C24H34N2O5/c1-16(13-17(2)22(31-5)14-20-9-7-6-8-10-20)11-12-21(26-19(4)27)18(3)24(30)25-15-23(28)29/h6-13,17-18,21-22H,14-15H2,1-5H3,(H,25,30)(H,26,27)(H,28,29)/b12-11+,16-13+/t17-,18-,21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 5600.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL175630
PNG
((1S,4R)-3-(3-Carboxy-phenylcarbamoyl)-7-oxa-bicycl...)
Show SMILES OC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C15H13NO6/c17-13(16-8-3-1-2-7(6-8)14(18)19)11-9-4-5-10(22-9)12(11)15(20)21/h1-6,9-12H,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,11?,12?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 13000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL177853
PNG
((1S,4R)-3-(3-Methoxycarbonyl-phenylcarbamoyl)-7-ox...)
Show SMILES COC(=O)c1cccc(NC(=O)C2[C@H]3CC[C@H](O3)C2C(O)=O)c1
Show InChI InChI=1S/C16H17NO6/c1-22-16(21)8-3-2-4-9(7-8)17-14(18)12-10-5-6-11(23-10)13(12)15(19)20/h2-4,7,10-13H,5-6H2,1H3,(H,17,18)(H,19,20)/t10-,11+,12?,13?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 16000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL368311
PNG
((1S,4R)-3-Dimethylcarbamoyl-7-oxa-bicyclo[2.2.1]he...)
Show SMILES CN(C)C(=O)C1[C@@H]2O[C@@H](C=C2)C1C([O-])=O
Show InChI InChI=1S/C10H13NO4/c1-11(2)9(12)7-5-3-4-6(15-5)8(7)10(13)14/h3-8H,1-2H3,(H,13,14)/p-1/t5-,6+,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 18000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL6951
PNG
(Benzoic acid (1S,2R,6S,7R,8R)-3,5-dioxo-4,10-dioxa...)
Show SMILES O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@@H]1[C@H]2C(=O)OC1=O)c1ccccc1
Show InChI InChI=1S/C16H14O6/c17-14(8-4-2-1-3-5-8)20-7-9-6-10-11-12(13(9)21-10)16(19)22-15(11)18/h1-5,9-13H,6-7H2/t9-,10+,11+,12+,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 25000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL318253
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19+,22-,23-/m0/s1
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n/an/a 25000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL425851
PNG
((1S,4R)-3-(4-Ethoxycarbonyl-phenylcarbamoyl)-7-oxa...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2[C@H]3CC[C@H](O3)C2C(O)=O)cc1
Show InChI InChI=1S/C17H19NO6/c1-2-23-17(22)9-3-5-10(6-4-9)18-15(19)13-11-7-8-12(24-11)14(13)16(20)21/h3-6,11-14H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t11-,12+,13?,14?/m1/s1
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n/an/a 29000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL175996
PNG
((1S,4R)-3-(4-Chloro-phenylcarbamoyl)-7-oxa-bicyclo...)
Show SMILES OC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11?,12?/m1/s1
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n/an/a 49000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL318666
PNG
((2R,5S)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1[C@H](CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N2O7/c1-17(15-18(2)25(37-5)16-21-9-7-6-8-10-21)11-12-22(29-20(4)31)19(3)26(32)30-23(27(33)34)13-14-24(30)28(35)36/h6-12,15,18-19,22-25H,13-14,16H2,1-5H3,(H,29,31)(H,33,34)(H,35,36)/b12-11+,17-15+/t18-,19-,22-,23-,24+,25-/m0/s1
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n/an/a>50000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL318434
PNG
((2S,5S)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1[C@@H](CC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N2O7/c1-17(15-18(2)25(37-5)16-21-9-7-6-8-10-21)11-12-22(29-20(4)31)19(3)26(32)30-23(27(33)34)13-14-24(30)28(35)36/h6-12,15,18-19,22-25H,13-14,16H2,1-5H3,(H,29,31)(H,33,34)(H,35,36)/b12-11+,17-15+/t18-,19-,22-,23-,24-,25-/m0/s1
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n/an/a>50000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL316507
PNG
((R)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C27H38N2O5/c1-18(16-19(2)25(34-5)17-22-10-7-6-8-11-22)13-14-23(28-21(4)30)20(3)26(31)29-15-9-12-24(29)27(32)33/h6-8,10-11,13-14,16,19-20,23-25H,9,12,15,17H2,1-5H3,(H,28,30)(H,32,33)/b14-13+,18-16+/t19-,20-,23-,24+,25-/m0/s1
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n/an/a>55000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL175576
PNG
((1S,4R)-3-(3-Methoxycarbonyl-phenylcarbamoyl)-7-ox...)
Show SMILES COC(=O)c1cccc(NC(=O)C2[C@@H]3O[C@@H](C=C3)C2C(O)=O)c1
Show InChI InChI=1S/C16H15NO6/c1-22-16(21)8-3-2-4-9(7-8)17-14(18)12-10-5-6-11(23-10)13(12)15(19)20/h2-7,10-13H,1H3,(H,17,18)(H,19,20)/t10-,11+,12?,13?/m1/s1
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n/an/a 60000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL367750
PNG
((1S,4R)-3-(4-Ethoxycarbonyl-phenylcarbamoyl)-7-oxa...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2[C@@H]3O[C@@H](C=C3)C2C(O)=O)cc1
Show InChI InChI=1S/C17H17NO6/c1-2-23-17(22)9-3-5-10(6-4-9)18-15(19)13-11-7-8-12(24-11)14(13)16(20)21/h3-8,11-14H,2H2,1H3,(H,18,19)(H,20,21)/t11-,12+,13?,14?/m1/s1
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n/an/a 76000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL346552
PNG
(okadaic acid analogue)
Show SMILES 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)CCC2O)O1
Show InChI 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
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n/an/a 94000.0n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Protein phosphatase 1(10 nM) isolated from rabbit muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL99719
PNG
((R)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyc...)
Show SMILES OC(=O)CC[C@@H](N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O)C(O)=O
Show InChI InChI=1S/C13H15NO7/c15-8(16)4-1-5(13(19)20)14-11(17)9-6-2-3-7(21-6)10(9)12(14)18/h5-7,9-10H,1-4H2,(H,15,16)(H,19,20)/t5-,6-,7+,9-,10+/m1/s1
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n/an/a 95000.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL98309
PNG
((R)-2-((4E,6E)-(2S,3S)-3-Acetylamino-7-biphenyl-4-...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)[C@@H](NC(C)=O)\C=C\C(\C)=C\c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H30N2O4/c1-17(16-21-11-13-23(14-12-21)22-8-6-5-7-9-22)10-15-24(28-20(4)29)18(2)25(30)27-19(3)26(31)32/h5-16,18-19,24H,1-4H3,(H,27,30)(H,28,29)(H,31,32)/b15-10+,17-16+/t18-,19+,24-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL369464
PNG
((1S,4R)-3-Methylcarbamoyl-7-oxa-bicyclo[2.2.1]hept...)
Show SMILES CNC(=O)C1[C@@H]2O[C@@H](C=C2)C1C([O-])=O
Show InChI InChI=1S/C9H11NO4/c1-10-8(11)6-4-2-3-5(14-4)7(6)9(12)13/h2-7H,1H3,(H,10,11)(H,12,13)/p-1/t4-,5+,6?,7?/m1/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL368606
PNG
(N-((1S,2R,7R)-3,5-Dioxo-4,10-dioxa-tricyclo[5.2.1....)
Show SMILES CC(=O)NC[C@@]12CC[C@@H](O1)C1[C@H]2C(=O)OC1=O
Show InChI InChI=1S/C11H13NO5/c1-5(13)12-4-11-3-2-6(17-11)7-8(11)10(15)16-9(7)14/h6-8H,2-4H2,1H3,(H,12,13)/t6-,7?,8+,11-/m1/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL176328
PNG
(((1R,6R,7S)-3,5-Dioxo-4,10-dioxa-tricyclo[5.2.1.0*...)
Show SMILES O=C1OC(=O)C2[C@@H]1[C@H]1O[C@]2(CC#N)C=C1
Show InChI InChI=1S/C10H7NO4/c11-4-3-10-2-1-5(15-10)6-7(10)9(13)14-8(6)12/h1-2,5-7H,3H2/t5-,6-,7?,10-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL369584
PNG
((1S,4R)-7-Oxa-bicyclo[2.2.1]heptane-2,3-dicarboxyl...)
Show SMILES OC(=O)C1[C@@H]2CC[C@@H](O2)C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H16O5/c16-14(17)12-10-6-7-11(20-10)13(12)15(18)19-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,17)/t10-,11+,12?,13?/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL174701
PNG
((1S,4R)-3-(4-Chloro-phenylcarbamoyl)-7-oxa-bicyclo...)
Show SMILES COC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO4/c1-20-15(19)13-11-7-6-10(21-11)12(13)14(18)17-9-4-2-8(16)3-5-9/h2-7,10-13H,1H3,(H,17,18)/t10-,11+,12?,13?/m1/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL99251
PNG
((S)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1CCC[C@H]1C(=O)OC
Show InChI InChI=1S/C28H40N2O5/c1-19(17-20(2)26(34-5)18-23-11-8-7-9-12-23)14-15-24(29-22(4)31)21(3)27(32)30-16-10-13-25(30)28(33)35-6/h7-9,11-12,14-15,17,20-21,24-26H,10,13,16,18H2,1-6H3,(H,29,31)/b15-14+,19-17+/t20-,21-,24-,25-,26-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL97984
PNG
((2R,4S)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@H](C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N2O7/c1-17(13-18(2)25(37-5)14-21-9-7-6-8-10-21)11-12-23(29-20(4)31)19(3)26(32)30-16-22(27(33)34)15-24(30)28(35)36/h6-13,18-19,22-25H,14-16H2,1-5H3,(H,29,31)(H,33,34)(H,35,36)/b12-11+,17-13+/t18-,19-,22-,23-,24+,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL100880
PNG
(N-[(2E,4E)-(1S,6S,7S)-7-Methoxy-4,6-dimethyl-1-((S...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1CCCC1
Show InChI InChI=1S/C26H38N2O3/c1-19(17-20(2)25(31-5)18-23-11-7-6-8-12-23)13-14-24(27-22(4)29)21(3)26(30)28-15-9-10-16-28/h6-8,11-14,17,20-21,24-25H,9-10,15-16,18H2,1-5H3,(H,27,29)/b14-13+,19-17+/t20-,21-,24-,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL318677
PNG
((S)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C27H38N2O5/c1-18(16-19(2)25(34-5)17-22-10-7-6-8-11-22)13-14-23(28-21(4)30)20(3)26(31)29-15-9-12-24(29)27(32)33/h6-8,10-11,13-14,16,19-20,23-25H,9,12,15,17H2,1-5H3,(H,28,30)(H,32,33)/b14-13+,18-16+/t19-,20-,23-,24-,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL99014
PNG
((2R,4R)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)O[Si](C(C)C)(C(C)C)C(C)C
Show InChI InChI=1S/C36H58N2O6Si/c1-23(2)45(24(3)4,25(5)6)44-31-21-33(36(41)42)38(22-31)35(40)28(9)32(37-29(10)39)18-17-26(7)19-27(8)34(43-11)20-30-15-13-12-14-16-30/h12-19,23-25,27-28,31-34H,20-22H2,1-11H3,(H,37,39)(H,41,42)/b18-17+,26-19+/t27-,28-,31+,32-,33+,34-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL100033
PNG
((2S,4R)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N2O7/c1-17(13-18(2)25(37-5)14-21-9-7-6-8-10-21)11-12-23(29-20(4)31)19(3)26(32)30-16-22(27(33)34)15-24(30)28(35)36/h6-13,18-19,22-25H,14-16H2,1-5H3,(H,29,31)(H,33,34)(H,35,36)/b12-11+,17-13+/t18-,19-,22+,23-,24-,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL101402
PNG
((R)-2-[(4E,6E)-(2S,3S)-3-Acetylamino-7-(2-benzyl-p...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)[C@@H](NC(C)=O)\C=C\C(\C)=C\c1ccccc1Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H32N2O4/c1-18(16-23-12-8-9-13-24(23)17-22-10-6-5-7-11-22)14-15-25(29-21(4)30)19(2)26(31)28-20(3)27(32)33/h5-16,19-20,25H,17H2,1-4H3,(H,28,31)(H,29,30)(H,32,33)/b15-14+,18-16+/t19-,20+,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL97878
PNG
((R)-2-((4E,6E)-(2S,3S)-3-Acetylamino-2,6-dimethyl-...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)[C@@H](NC(C)=O)\C=C\C(\C)=C\CCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H32N2O4/c1-16(10-8-9-13-20-11-6-5-7-12-20)14-15-21(25-19(4)26)17(2)22(27)24-18(3)23(28)29/h5-7,10-12,14-15,17-18,21H,8-9,13H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/b15-14+,16-10+/t17-,18+,21-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL99826
PNG
((2R,4R)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N2O7/c1-17(13-18(2)25(37-5)14-21-9-7-6-8-10-21)11-12-23(29-20(4)31)19(3)26(32)30-16-22(27(33)34)15-24(30)28(35)36/h6-13,18-19,22-25H,14-16H2,1-5H3,(H,29,31)(H,33,34)(H,35,36)/b12-11+,17-13+/t18-,19-,22+,23-,24+,25-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL98661
PNG
([((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-methoxy-2,...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C26H36N2O7/c1-17(13-18(2)23(35-5)14-21-9-7-6-8-10-21)11-12-22(27-20(4)29)19(3)26(34)28(15-24(30)31)16-25(32)33/h6-13,18-19,22-23H,14-16H2,1-5H3,(H,27,29)(H,30,31)(H,32,33)/b12-11+,17-13+/t18-,19-,22-,23-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL317292
PNG
((R)-1-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N1CCC[C@@H]1C(=O)OC
Show InChI InChI=1S/C28H40N2O5/c1-19(17-20(2)26(34-5)18-23-11-8-7-9-12-23)14-15-24(29-22(4)31)21(3)27(32)30-16-10-13-25(30)28(33)35-6/h7-9,11-12,14-15,17,20-21,24-26H,10,13,16,18H2,1-6H3,(H,29,31)/b15-14+,19-17+/t20-,21-,24-,25+,26-/m0/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL368167
PNG
(N-((1S,2R,7R)-3,5-Dioxo-4,10-dioxa-tricyclo[5.2.1....)
Show SMILES CC(=O)NC[C@]12O[C@H](C=C1)C1[C@H]2C(=O)OC1=O
Show InChI InChI=1S/C11H11NO5/c1-5(13)12-4-11-3-2-6(17-11)7-8(11)10(15)16-9(7)14/h2-3,6-8H,4H2,1H3,(H,12,13)/t6-,7?,8+,11-/m1/s1
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n/an/a>100000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL323093
PNG
((R)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyc...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O
Show InChI InChI=1S/C17H17NO6/c19-9-3-1-8(2-4-9)7-10(17(22)23)18-15(20)13-11-5-6-12(24-11)14(13)16(18)21/h1-4,10-14,19H,5-7H2,(H,22,23)/t10-,11-,12+,13-,14+/m1/s1
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n/an/a 101000.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL97992
PNG
((S)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C25H36N2O5/c1-16(14-17(2)23(32-6)15-21-10-8-7-9-11-21)12-13-22(27-20(5)28)18(3)24(29)26-19(4)25(30)31/h7-14,17-19,22-23H,15H2,1-6H3,(H,26,29)(H,27,28)(H,30,31)/b13-12+,16-14+/t17-,18-,19-,22-,23-/m0/s1
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n/an/a 170000.0n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against protein phosphatase 1 (PP1) using phosphorylase-a assay


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 2C beta


(Homo sapiens)
CHEMBL319542
PNG
((S)-2-((1S,2R,6S,7R)-3,5-Dioxo-10-oxa-4-aza-tricyc...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O
Show InChI InChI=1S/C19H18N2O5/c22-17-15-13-5-6-14(26-13)16(15)18(23)21(17)12(19(24)25)7-9-8-20-11-4-2-1-3-10(9)11/h1-4,8,12-16,20H,5-7H2,(H,24,25)/t12-,13-,14+,15-,16+/m0/s1
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n/an/a 312000.0n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein phosphatase 1 (PP1) was determined


Citation and Details
More data for this
Ligand-Target Pair
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