BDBM50527104 CHEMBL4447583

SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F

InChI Key InChIKey=BILBXEUAJZPBIW-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50527104   

TargetCytochrome P450 2C8(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 7.01E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition and measured for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4/3A43/3A5/3A7(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 6.22E+4nMAssay Description:Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4/3A43/3A5/3A7(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 8.54E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Rutgers University

Curated by ChEMBL
LigandPNGBDBM50527104(CHEMBL4447583)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of recombinant HIV-1 reverse transcriptase incubated for 2 hrs by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed