BDBM50260759 (R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-fluoro-3-methoxyphenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid::(R)-4-{2-[5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyric Acid::CHEMBL509075

SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O

InChI Key InChIKey=FWSQRSDDLDNXGE-VWLOTQADSA-N

Data  3 KI  5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50260759   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260759((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260759((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
Affinity DataIC50: 47nMAssay Description:Antagonist activity at human GnRH receptor expressed in RBL1 cells assessed as inhibition of GnRH-stimulated inositol phosphate productionMore data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260759((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
Affinity DataIC50: 4.90nMAssay Description:Antagonist activity at human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated calcium fluxMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260759((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260759((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H28F5N3O5/c1-44-26-13-5-10-20(28(26)33)21-16-38(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)39(29(21)42)18-25(19-8-3-2-4-9-19)37-15-7-14-27(40)41/h2-6,8-13,16,25,37H,7,14-15,17-18H2,1H3,(H,40,41)/t25-/m0/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) by microtiter plate-based fluorimetric assayMore data for this Ligand-Target Pair