BDBM684661 Preparation of 7-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4,4-dimethyl-1-(4-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-one ::US20240226107, Compound 74

SMILES COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(cc1)-n1nc(cc1C)C(F)(F)F)C(=O)OC2(C)C

InChI Key InChIKey=NQHGJEHYSYHMED-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 = 684661   

TargetUbiquitin carboxyl-terminal hydrolase 1(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 17.3nMAssay Description:Each compound to be tested was dissolved with DMSO to 10 mM. The compound and pure DMSO (with a total volume of 50 nL) were loaded to each well of th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 4.50E+3nMAssay Description:Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor poole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 1.02E+4nMAssay Description:Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor poole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 3.00E+4nMAssay Description:Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor poole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 3.00E+4nMAssay Description:Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor poole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent

TargetCytochrome P450 3A4(Human)
Simcere Zaiming Pharmaceutical Co.

US Patent
LigandPNGBDBM684661(US20240226107, Compound 74 | Preparation of 7-(4-c...)
Affinity DataIC50: 3.00E+4nMAssay Description:Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor poole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2024
Entry Details
US Patent