BDBM50614333 CHEMBL5267172

SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key InChIKey=GGAKLYWEFZCVIT-UHFFFAOYSA-N

Data  19 IC50

  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 19 hits for monomerid = 50614333   

TargetCytochrome P450 2A6(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 8.80E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.02E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.21E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.86E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.88E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 2.19E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 2.33E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate assessed as reduction in substrate hydroxylation incubated for 5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 2.63E+4nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 2.77E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2E1(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate assessed as reduction in substrate hydroxylation incubated for 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2E1(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 3.79E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate assessed as reduction in O-deethylation of phenacetin incubated for 5 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 6.37E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate assessed as reduction in substrate hydroxylation incubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Lytix Biopharma

Curated by ChEMBL
LigandPNGBDBM50614333(CHEMBL5267172)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate assessed as reduction in O-deethylation of phenacetin incubated for 30 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed