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(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
Target3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Genomics Institute Of The Novartis Research Foundation

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Affinity DataIC50:  330nMAssay Description:Inhibition of CHK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk2(Homo sapiens (Human))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM16591((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
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 DepthDetails ArticlePubMed