BDBM50261243 (R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione::3-[(2R)-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione::CHEMBL468551

SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O

InChI Key InChIKey=AEOBYHAZFRJFPZ-QFIPXVFZSA-N

Data  3 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50261243   

TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50261243((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Binding affinity at human GnRH receptorMore data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50261243((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Rattus norvegicus)
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50261243((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from rat GnRH receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50261243((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
Affinity DataIC50: 230nMAssay 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
LigandPNGBDBM50261243((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show InChI InChI=1S/C28H24F5N3O3/c1-16-24(18-10-6-13-23(39-2)25(18)30)26(37)36(15-22(34)17-8-4-3-5-9-17)27(38)35(16)14-19-20(28(31,32)33)11-7-12-21(19)29/h3-13,22H,14-15,34H2,1-2H3/t22-/m0/s1
Affinity DataIC50: 0.5nMAssay 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