BDBM682904 ((3aR,6aS)-5-(5-fluoro-4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2-fluoro-6-(pyrimidin-2-yl)phenyl)methanone::US20240208981, Compound 93

SMILES CC(C)(O)c1nc(ncc1F)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(F)cccc1-c1ncccn1

InChI Key InChIKey=SKVZHHIYVFVUDS-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 682904   

TargetCytochrome P450 1A2(Human)
Shanghai Hansoh Biomedical Co.

US Patent
LigandPNGBDBM682904(US20240208981, Compound 93 | ((3aR,6aS)-5-(5-fluor...)
Affinity DataIC50: 1.00E+5nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Shanghai Hansoh Biomedical Co.

US Patent
LigandPNGBDBM682904(US20240208981, Compound 93 | ((3aR,6aS)-5-(5-fluor...)
Affinity DataIC50: 1.00E+5nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Shanghai Hansoh Biomedical Co.

US Patent
LigandPNGBDBM682904(US20240208981, Compound 93 | ((3aR,6aS)-5-(5-fluor...)
Affinity DataIC50: 8.27E+4nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Shanghai Hansoh Biomedical Co.

US Patent
LigandPNGBDBM682904(US20240208981, Compound 93 | ((3aR,6aS)-5-(5-fluor...)
Affinity DataIC50: 1.00E+5nMAssay Description:1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
Go to US Patent