BDBM50604573 CHEMBL5174834

SMILES CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C

InChI Key InChIKey=GKKXAQNAEUEDNC-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50604573   

TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 3.06E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 1.64E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 2.68E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as a substrate preincubated for 10 mins followed by NADPH addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 2.99E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as a substrate preincubated for 10 mins followed by NADPH addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataIC50: 1.67E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as a substrate preincubated for 10 mins followed by NADPH addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAtrial natriuretic peptide receptor 3(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50604573(CHEMBL5174834)
Affinity DataKd:  3.08E+4nMAssay Description:Binding affinity to CM5 sensor chip immobilized human NPR-C (27 to 541 residues) assessed as dissociation constant by surface plasmon resonance analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed