BDBM50260762 (R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-(2-chlorophenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid::CHEMBL450471

SMILES OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1

InChI Key InChIKey=WXJLFSUTNCMCGA-SANMLTNESA-N

Data  1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50260762   

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

Curated by ChEMBL
LigandPNGBDBM50260762((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C30H26ClF4N3O4/c31-24-12-5-4-10-20(24)21-16-37(17-22-23(30(33,34)35)11-6-13-25(22)32)29(42)38(28(21)41)18-26(19-8-2-1-3-9-19)36-15-7-14-27(39)40/h1-6,8-13,16,26,36H,7,14-15,17-18H2,(H,39,40)/t26-/m0/s1
Affinity DataKi:  3.40nMAssay Description:Binding affinity to human GnRHRMore data for this Ligand-Target Pair
TargetGonadotropin-releasing hormone receptor(Homo sapiens (Human))
Neurocrine Biosciences Inc

Curated by ChEMBL
LigandPNGBDBM50260762((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C30H26ClF4N3O4/c31-24-12-5-4-10-20(24)21-16-37(17-22-23(30(33,34)35)11-6-13-25(22)32)29(42)38(28(21)41)18-26(19-8-2-1-3-9-19)36-15-7-14-27(39)40/h1-6,8-13,16,26,36H,7,14-15,17-18H2,(H,39,40)/t26-/m0/s1
Affinity DataIC50: 11nMAssay 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
LigandPNGBDBM50260762((R)-4-(2-(3-(2-fluoro-6-(trifluoromethyl)benzyl)-5...)
Show SMILES OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C30H26ClF4N3O4/c31-24-12-5-4-10-20(24)21-16-37(17-22-23(30(33,34)35)11-6-13-25(22)32)29(42)38(28(21)41)18-26(19-8-2-1-3-9-19)36-15-7-14-27(39)40/h1-6,8-13,16,26,36H,7,14-15,17-18H2,(H,39,40)/t26-/m0/s1
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair