BDBM50546239 CHEMBL103579

SMILES CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl

InChI Key InChIKey=PMXCMJLOPOFPBT-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50546239   

TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546239(CHEMBL103579)
Affinity DataIC50: 6.58E+3nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Guru Nanak Dev University

Curated by ChEMBL
LigandPNGBDBM50546239(CHEMBL103579)
Affinity DataIC50: 50nMAssay Description:Inhibition of human CDK2/cyclinA using histone H1 as substrate incubated for 30 mins in presence of gamma[32P]ATP by phosphoimaging analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50546239(CHEMBL103579)
Affinity DataKi:  5.50E+3nMAssay Description:Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed