BDBM50276927 CHEMBL4175440

SMILES Cc1cccc2c(Nc3cccc(c3)-c3nc4c(cccc4[nH]3)C(N)=O)c3ccccc3nc12

InChI Key InChIKey=PNMWZMQRULSUIP-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50276927   

TargetCytochrome P450 2C9(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 6.80E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 450nMAssay Description:Inhibition of PARP1 (unknown origin) assessed as reduction in biotinylated poly(ADP-ribose) incorporation on to histone protein by ELISA based colori...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Tsinghua University

Curated by ChEMBL
LigandPNGBDBM50276927(CHEMBL4175440)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2020
Entry Details Article
PubMed