BDBM7262 14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::9-Nitropaullone::BDBM84528::CHEMBL50894::NSC 705701::Paullone Analog 1::alsterpaullone

SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

InChI Key InChIKey=OLUKILHGKRVDCT-UHFFFAOYSA-N

Data  3 KI  31 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 7262   

TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University Of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataKi:  80nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNinein(Homo sapiens (Human))
University Of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataKi:  110nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
University Of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataKi:  470nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))
Cnrs

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMT: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMpH: 7.5 T: 2°CAssay Description:Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMpH: 7.5 T: 2°CAssay Description:Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCyclin-dependent kinase 5(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  40nMpH: 7.5 T: 2°CAssay Description:Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGlycogen synthase kinase-3(Homo sapiens (Human))
Central University

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  5nMAssay Description:Inhibition of glycogen synthase kinase-3 (unknown origin)More data for this Ligand-Target Pair
TargetMO15-related protein kinase Pfmrk(Plasmodium falciparum)
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  5.10E+4nMAssay Description:Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, PfmrkMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMO15-related protein kinase Pfmrk(Plasmodium falciparum)
Institute Of Research

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  5.10E+4nMAssay Description:Inhibition of Plasmodium falciparum cyclin-dependent kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:Inhibition of CDK1/cyclin B expressed in M phase starfish oocyteMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GSK3-beta expressed in insect Sf9 cellsMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  20nMAssay Description:Inhibition of GSK3-betaChecked by AuthorMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Technische Universit£T Braunschweig

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  40nMAssay Description:Inhibition of recombinant CDK5/p25 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of human recombinant GSK3betaMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GSK3-betaMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
The Rockefeller University

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GSK3alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:Inhibition of CDK1/cyclinBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  40nMAssay Description:Inhibition of CDK5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CDK4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University Of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  15nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE substrate peptide and [gamma-33P-ATP] incubated for 40 mins by scintillation count...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation countingMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of GSK3beta (unknown origin)More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  6.5nMAssay Description:Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assayMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Csir-Indian Institute Of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  15nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Technische UniversitÄT Braunschweig

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetReplicase polyprotein 1ab(2019-nCoV)
Eberhard Karls University T£Bingen

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of SARS-CoV-2 M-proteaseMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  35nMAssay Description:Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulationMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  15nMAssay Description:Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulationMore data for this Ligand-Target Pair
In DepthDetails
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  2.20E+4nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  22nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4.50E+3nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4.5nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
TargetCasein kinase II subunit alpha 3(Homo sapiens)TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cellsMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  40nMAssay Description:Antagonist activity at rat UT receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity in rat uterus by uterotonic assayMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  200nMAssay Description:Antagonist activity in phenoxybenzamine-treated rat by Pressor assayMore data for this Ligand-Target Pair
In DepthDetails
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
The Rockefeller University

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Antagonist activity in rat uterus by uterotonic assayMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity in phenoxybenzamine-treated rat by Pressor assayMore data for this Ligand-Target Pair
In DepthDetails
TargetInsulin receptor(Homo sapiens (Human))TBA
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50: >1.00E+5nMAssay Description:Antagonist activity in phenoxybenzamine-treated rat by Pressor assayMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 5 activator 1 [99-307](Homo sapiens (Human))
Cnrs

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  40nMT: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))
Cnrs

LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  4nMAssay Description:Antagonist activity in phenoxybenzamine-treated rat by Pressor assayMore data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Technische Universit£T Braunschweig

Curated by ChEMBL
LigandPNGBDBM7262(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Affinity DataIC50:  330nMAssay Description:Inhibition of CDK5/p25 (unknown origin) after 30 mins by SDS-PAGE analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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