BDBM50506914 CHEMBL4522042

SMILES O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1

InChI Key InChIKey=FWFHXPGGGOSSPF-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 = 50506914   

TargetCytochrome P450 2D6(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 200nMAssay Description:Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetRho-associated protein kinase 1/2(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 450nMAssay Description:Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 280nMAssay Description:Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 37nMAssay Description:Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 80nMAssay Description:Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Abbvie Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50506914(CHEMBL4522042)
Affinity DataIC50: 2.04E+3nMAssay Description:Inhibition of C-terminal 4His-tagged CYP2C9 (unknown origin) expressed in Escherichia coli by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed