null

SMILES O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1

InChI Key InChIKey=VGMDAWVZNAXVDG-UHFFFAOYSA-N

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

  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 25 hits for monomerid = 7287   

TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
CNRS

LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMT: 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 Article
BindingDB Entry DOI: 10.7270/Q2CR5RJSPubMed
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))TBA
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 620nMAssay Description:Antagonist activity in rat uterus by uterotonic assayMore data for this Ligand-Target Pair
In DepthDetails
TargetGlycogen synthase kinase-3 beta(Rattus norvegicus (rat))TBA
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 620nMT: 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 Article
BindingDB Entry DOI: 10.7270/Q2CR5RJSPubMed
TargetGastrin/cholecystokinin type B receptor(RAT)
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity by measuring its ability to displace [3H]L-365,260 from cholecystokinin receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity, measured by displacement [3H]-CP-55,940 from cannabinoid receptor (CB1) in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Universität Hamburg

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q21C1W2RPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Central University

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis i...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PH8PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation c...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counti...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 810nMAssay Description:Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetCasein kinase I isoform alpha(Sus scrofa)
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CLK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin bas...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetGlycogen synthase kinase 3(Plasmodium falciparum (isolate 3D7))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Plasmodium falciparum GSK3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK1/cyclin BMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21836T2PubMed
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CDK1/cyclin B expressed in M phase starfish oocyteMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C1VPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Central University

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 620nMAssay Description:Inhibition of GSK3-beta expressed in insect Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9C1VPubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Central University

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5HNSPubMed
Target5-hydroxytryptamine receptor 1A/1B/1D/1F(RAT)
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rattus norvegicus (rat))
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of [3H]naxolone binding to opiate receptors in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetDelta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1(Rattus norvegicus (rat))
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rattus norvegicus (Rat))
Mayo Foundation for Medical Education and Research

Curated by ChEMBL
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity by measuring its ability to displace [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2C24VGVPubMed
TargetCyclin-dependent kinase 5 activator 1 [99-307](Homo sapiens (Human))
CNRS

LigandPNGBDBM7287(8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octad...)copy SMILEScopy InChI
Affinity DataIC50: 1.01E+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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5RJSPubMed