BDBM50090540 7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide::7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide::CHEMBL48192
SMILES: Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCCCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O
InChI Key: InChIKey=LQGVIIDLWCIUBJ-NRFANRHFSA-N
Data: 4 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)) | BDBM50090540 (7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human Gonadotropin-releasing hormone receptor | Bioorg Med Chem Lett 10: 1723-7 (2000) BindingDB Entry DOI: 10.7270/Q26W99B2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50090540 (7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor | Bioorg Med Chem Lett 14: 5599-603 (2004) Article DOI: 10.1016/j.bmcl.2004.08.056 BindingDB Entry DOI: 10.7270/Q20V8C8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50090540 (7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand | Bioorg Med Chem Lett 14: 5599-603 (2004) Article DOI: 10.1016/j.bmcl.2004.08.056 BindingDB Entry DOI: 10.7270/Q20V8C8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human)) | BDBM50090540 (7-Chloro-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-3-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Curated by ChEMBL | Assay Description Inhibitory concentration against binding of [125-I]buserelin to human Gonadotropin-releasing hormone receptor | Bioorg Med Chem Lett 14: 1795-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.101 BindingDB Entry DOI: 10.7270/Q2XW4J77 | |||||||||||
More data for this Ligand-Target Pair |