BindingDB PrimarySearch

BDBM50110681 CHEMBL430266::Calyculin-A

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

InChI Key: InChIKey=FKAWLXNLHHIHLA-YCBIHMBMSA-N

Data: 17 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50110681
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine protein phosphatase 2A, 56 kDa regulatory subunit, alpha isoform (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in H248N				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus)	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Concentration required to inhibit the action of protein phosphatase 2A				Bioorg Med Chem Lett 12: 391-3 (2002) BindingDB Entry DOI: 10.7270/Q2XS5VX8
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibitory concentration against Protein phosphatase 1 was determined; 0.5-1.0				Bioorg Med Chem Lett 12: 391-3 (2002) BindingDB Entry DOI: 10.7270/Q2XS5VX8
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Observed inhibition activity of the compounds against protein phosphatases 1 (PP1)				J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus)	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase 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
University of California Curated by ChEMBL					Assay Description Observed inhibition activity of the compounds against protein phosphatases 2A (PP2A)				J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in wild type				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in N124D				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D220V				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in Y272F				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in R221S				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in E275R				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus)	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Exogenous inhibition concentration of Serine/threonine protein phosphatase 2A (PP2A)				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in C127S				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D208A				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in R96A				J Med Chem 45: 1151-75 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5GCG
The University of Newcastle Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50110681 (CHEMBL430266 \| Calyculin-A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition against purified catalytic subunit of protein phosphatase-1 from rabbit skeletal muscle				Bioorg Med Chem Lett 3: 1029-1034 (1993) Article DOI: 10.1016/S0960-894X(00)80281-4 BindingDB Entry DOI: 10.7270/Q2125T5P
TBA Curated by ChEMBL					More data for this Ligand-Target Pair