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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
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
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

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
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
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
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
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
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
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
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
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
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
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
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
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
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 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
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 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
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 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)
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
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>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)
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
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>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
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>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
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 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
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 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
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 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
PDB
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PubMed
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)
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
PDB
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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
PDB
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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
PDB
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PubMed
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
PDB
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PubMed
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
PDB
MMDB

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AffyNet 
Article
PubMed
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
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
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AffyNet 
Article
PubMed
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
PDB
MMDB

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UniProtKB/SwissProt
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PubMed
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
PDB
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Article
PubMed
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
PDB
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UniProtKB/SwissProt
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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
PDB
MMDB

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UniProtKB/SwissProt
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PubMed
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
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
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PC sid
AffyNet 
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PubMed
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
PDB
MMDB

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UniProtKB/SwissProt
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PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
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Article
PubMed
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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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ZINC 0

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Article
PubMed
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)
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
PDB
MMDB

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UniProtKB/SwissProt
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Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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Article
PubMed
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
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
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Article
PubMed
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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
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ZINC 0

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AffyNet 
Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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ZINC 0

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Article
PubMed
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
AffyNet 
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PC sid
ZINC 0

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Article
PubMed
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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