null

SMILES: Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O

InChI Key: InChIKey=ICAVEIBLQFGHKG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50155362   

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))	BDBM50155362 (4-[2-(1-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-7-chlo...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O |(5.79,2.75,;5.81,1.21,;4.48,.44,;4.48,-1.1,;5.81,-1.87,;7.14,-1.1,;8.47,-1.87,;7.14,.44,;8.48,1.21,;3.13,-1.85,;1.8,-1.07,;1.8,.47,;.47,1.24,;.47,2.78,;-.86,3.55,;-2.19,2.77,;-3.52,3.55,;-2.94,4.71,;-1.45,4.29,;-.86,5.09,;-2.19,5.87,;-3.52,5.09,;.47,-1.85,;-.86,-1.07,;-2.19,-1.85,;-3.52,-1.1,;-3.52,.44,;-4.87,-1.87,;-6.2,-1.1,;-7.62,-1.7,;-8.63,-.56,;-7.88,.77,;-6.36,.44,;-2.19,-3.41,;-3.54,-4.18,;-.86,-4.18,;.47,-3.39,;1.8,-4.18,;3.13,-3.41,;4.46,-4.18,)| Show InChI InChI=1S/C30H32ClN5O3S/c1-16-10-20(11-17(2)18(16)3)27-28(39-9-6-21-12-19-4-7-36(21)8-5-19)23-13-22(24(31)14-25(23)33-30(27)38)29(37)34-26-15-32-40-35-26/h10-11,13-15,19,21H,4-9,12H2,1-3H3,(H,33,38)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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 receptor (Homo sapiens (Human))	BDBM50155362 (4-[2-(1-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-7-chlo...) Show SMILES Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O |(5.79,2.75,;5.81,1.21,;4.48,.44,;4.48,-1.1,;5.81,-1.87,;7.14,-1.1,;8.47,-1.87,;7.14,.44,;8.48,1.21,;3.13,-1.85,;1.8,-1.07,;1.8,.47,;.47,1.24,;.47,2.78,;-.86,3.55,;-2.19,2.77,;-3.52,3.55,;-2.94,4.71,;-1.45,4.29,;-.86,5.09,;-2.19,5.87,;-3.52,5.09,;.47,-1.85,;-.86,-1.07,;-2.19,-1.85,;-3.52,-1.1,;-3.52,.44,;-4.87,-1.87,;-6.2,-1.1,;-7.62,-1.7,;-8.63,-.56,;-7.88,.77,;-6.36,.44,;-2.19,-3.41,;-3.54,-4.18,;-.86,-4.18,;.47,-3.39,;1.8,-4.18,;3.13,-3.41,;4.46,-4.18,)| Show InChI InChI=1S/C30H32ClN5O3S/c1-16-10-20(11-17(2)18(16)3)27-28(39-9-6-21-12-19-4-7-36(21)8-5-19)23-13-22(24(31)14-25(23)33-30(27)38)29(37)34-26-15-32-40-35-26/h10-11,13-15,19,21H,4-9,12H2,1-3H3,(H,33,38)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	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