BDBM16591 (4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one::2-amino-5-[(4Z)-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-ylidene]-4,5-dihydro-1H-imidazol-4-one::B722657K110::CHEMBL255465::Debromohymenialdisine (DBH)::Hymenialdisine, 8::NSC607174

SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12

InChI Key InChIKey=JYRJOQGKGMHTOO-UHFFFAOYSA-N

Data  1 KI  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 16591   

TargetSerine/threonine-protein kinase Chk1(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 353nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 266nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 856nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 168nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 8.83E+3nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 190nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 420nMpH: 7.5 T: 2°CAssay Description:NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Genomics Institute of The Novartis Research Foundation

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 112nMpH: 7.2Assay Description:In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2011
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Genomics Institute of The Novartis Research Foundation

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 250nMpH: 7.2Assay Description:In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2011
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 111nMpH: 7.2Assay Description:In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2011
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 725nMAssay Description:In vitro inhibitory concentration against checkpoint kinase 1 (Chk1) by using [gamma-33P]-ATP] as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 330nMAssay Description:Inhibition of CHK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 1(Human)
Michigan State University

Curated by ChEMBL
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 824nMAssay Description:In vitro inhibitory concentration against human mitogen-activated protein kinase-1 (MEK-1) by using [gamma-33P]-ATP] as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk2(Human)
Michigan State University

Curated by ChEMBL
LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataIC50: 183nMAssay Description:In vitro inhibitory concentration against checkpoint kinase 2 (Chk2) by using [gamma-33P]-ATP] as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase Chk1(Human)
Vernalis (R&D)

LigandPNGBDBM16591(B722657K110 | Hymenialdisine, 8 | CHEMBL255465 | (...)
Affinity DataKi:  659nM ΔG°:  -8.57kcal/molepH: 7.5 T: 2°CAssay Description:For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2007
Entry Details Article
PubMed