BDBM50110620 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(3H-[1,2,3]triazolo[4,5-b]pyridin-6-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one::CHEMBL157412
SMILES: C[C@H](CNCCc1cnc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1
InChI Key: InChIKey=XMDFELKYJKBOIE-XNORXSBBSA-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)) | BDBM50110620![]() (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor | Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin-releasing hormone receptor (Homo sapiens (Human)) | BDBM50110620![]() (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis | Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X | |||||||||||
More data for this Ligand-Target Pair |