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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50261243 ((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc Curated by ChEMBL | Assay Description Binding affinity at human GnRH receptor | J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50261243 ((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting | J Med Chem 51: 7478-85 (2009) Article DOI: 10.1021/jm8006454 BindingDB Entry DOI: 10.7270/Q2S46RT8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Rattus norvegicus) | BDBM50261243 ((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from rat GnRH receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 51: 7478-85 (2009) Article DOI: 10.1021/jm8006454 BindingDB Entry DOI: 10.7270/Q2S46RT8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50261243 ((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | J Med Chem 51: 7478-85 (2009) Article DOI: 10.1021/jm8006454 BindingDB Entry DOI: 10.7270/Q2S46RT8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50261243 ((R)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-am...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human GnRH receptor expressed in RBL1 cells assessed as inhibition of GnRH-stimulated inositol phosphate production | J Med Chem 51: 7478-85 (2009) Article DOI: 10.1021/jm8006454 BindingDB Entry DOI: 10.7270/Q2S46RT8 | |||||||||||
More data for this Ligand-Target Pair |