BDBM50440358 CHEMBL2425156

SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C

InChI Key InChIKey=JMQOIKOCLOMDPW-UHFFFAOYSA-N

Data  7 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50440358   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataKd:  770nMAssay Description:Binding affinity to FAK kinase (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50440358(CHEMBL2425156)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 minsMore data for this Ligand-Target Pair