BDBM50383714 CHEMBL2030402

SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1

InChI Key InChIKey=JJWLXRKVUJDJKG-UHFFFAOYSA-N

Data  10 IC50

PDB links: 2 PDB IDs match 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 10 hits for monomerid = 50383714   

LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ErgMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATPMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase pim-1(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 42nMAssay Description:Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 118nMAssay Description:Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 140nMAssay Description:Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50383714(CHEMBL2030402)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed