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  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50061067   

TargetProtein phosphatase 1A(Homo sapiens (Human))
University Of California Irvine

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  3nMAssay Description:Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase 5(Homo sapiens (Human))TBA
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  1nMAssay Description:Antagonist activity at NK2 receptor in human urinary bladder assessed as inhibition of [beta-Ala8]NKA(4-10)-induced tissue contractionsMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.100nMAssay Description:Tested for inhibition of purified catalytic subunit of protein phosphatase-2A from human erythrocytesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.100nMAssay Description:Tested for inhibition against purified catalytic subunit of protein phosphatase-1 from rabbit skeletal muscleMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  1.20nMAssay Description:Observed inhibition activity of the compounds against protein phosphatases 1 (PP1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.0650nMAssay Description:Observed inhibition activity of the compounds against protein phosphatases 2A (PP2A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D208AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.0200nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D220VMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B(Gallus gallus)
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.100nMAssay Description:Exogenous inhibition concentration of Serine/threonine protein phosphatase 2A (PP2A)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in N124DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  35nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in H248NMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.0100nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in E275RMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  29nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 9PP1) mutants by natural toxins in R221SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.0200nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in wild typeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.560nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in C127SMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  35nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in R96AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase PP1-gamma catalytic subunit(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in Y272FMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B(Gallus gallus)
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM50061067(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Affinity DataIC50:  3nMAssay Description:Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed