BindingDB PrimarySearch

BDBM50061067 15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid::15-(3-Guanidino-propyl)-8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid::8-[3-amino(imino)methylaminopropyl]-15-isobutyl-5-[6-methoxy-3,5-dimethyl-7-phenyl-(1E,3E)-1,3-heptadienyl]-4,11,18,22-tetramethyl-21-methylene-3,7,10,14,17,20,23-heptaoxo-2,6,9,13,16,19,22-heptaazacyclopentacosane-1,12-dicarboxylic acid::CHEMBL444092::Microcystin-LR

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

InChI Key: InChIKey=ZYZCGGRZINLQBL-GWRQVWKTSA-N

Data: 17 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50061067
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
Protein phosphatase 2C alpha (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
University of California at Irvine Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	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
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 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB 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, 55 kDa regulatory subunit B, alpha isoform (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0650	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))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0200	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
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus)	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	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))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	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 9PP1) 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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0200	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.560	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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	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
Serine-threonine protein phosphatase 2A regulatory subunit (Gallus gallus)	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Irvine Curated by ChEMBL					Assay Description Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay				Bioorg Med Chem Lett 13: 2903-6 (2003) BindingDB Entry DOI: 10.7270/Q2X63MB4
University of California at Irvine Curated by ChEMBL					More data for this Ligand-Target Pair