BDBM50581559 CHEMBL5083665

SMILES [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1

InChI Key InChIKey=HQGAXUPTPWZFGA-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50581559   

TargetCytochrome P450 3A4(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsome using paclitaxel as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsome using tolbutamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsome using mephenytoin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM50581559(CHEMBL5083665)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsome using phenacetin as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed