BDBM50563322 CHEMBL4777349

SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1

InChI Key InChIKey=ILMHDRGZABQLEW-UHFFFAOYSA-N

Data  6 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50563322   

TargetCytochrome P450 2C9(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan O-demethylation as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataIC50: 4.59E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam 1-hydroxylation as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataIC50: 1.09E+4nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 alpha(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  13nMAssay Description:Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCyclin-C(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  14nMAssay Description:Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  18nMAssay Description:Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetProtein kinase C theta type(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  109nMAssay Description:Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  1.77E+3nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50563322(CHEMBL4777349)
Affinity DataKi:  1.90E+3nMAssay Description:Inhibition of CDK1/cyclin-B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed