BDBM164620 US9688624, Compound 2

SMILES COc1ccc(CC([O-])=O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C

InChI Key InChIKey=SDHFXINHZHARIB-UHFFFAOYSA-M

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 = 164620   

TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50:  2.60E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
NMMLSC

US Patent
LigandPNGBDBM164620(US9688624, Compound 2)
Affinity DataIC50: >5.00E+4nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent