BDBM50104564 1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one::CHEMBL315326
SMILES: C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2)-c1cc(C)cc(C)c1
InChI Key: InChIKey=ISCMQUQGLIDHBV-JLDIWXBFSA-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 receptor (Homo sapiens (Human)) | BDBM50104564 (1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. | Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50104564 (1-(1S,4R)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin. | Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC | |||||||||||
More data for this Ligand-Target Pair |