BDBM50115998 3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-benzyl)-2-[4-(3-ethyl-ureido)-phenyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester::CHEMBL292291::ethyl 8-(2,6-difluorobenzyl)-3-((benzyl(methyl)amino)methyl)-2-(4-(3-ethylureido)phenyl)-5-oxo-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(C)Cc1ccccc1
InChI Key: InChIKey=YCJOYRXLFOTOAW-UHFFFAOYSA-N
Data: 2 IC50
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 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50115998 (3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University Curated by ChEMBL | Assay Description Antagonist activity at human GnRHR expressed in CHO cells after 30 mins by luciferase reporter gene assay | Bioorg Med Chem 15: 4841-56 (2007) Article DOI: 10.1016/j.bmc.2007.04.065 BindingDB Entry DOI: 10.7270/Q2Q52QXD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50115998 (3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells | Bioorg Med Chem Lett 12: 2073-7 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G32 | |||||||||||
More data for this Ligand-Target Pair |