BDBM50600975 CHEMBL5205780

SMILES [H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CNC)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN)O2

InChI Key InChIKey=GFQBCRMVLLRMOH-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50600975   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of hERG expressed in CHO cells at -80 mV holding potential by automated patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsome using Phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 3.69E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome using midazolam and testostrone as substrate preincubated for 10 mins followed by NADPH addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsome using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsome using tolbutamide 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:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50600975(CHEMBL5205780)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed