null

SMILES: COc1cc(OC)nc(NCC2CCC(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)CC2)n1

InChI Key: InChIKey=YPJRFHPSIRYAEL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121487   

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))	BDBM50121487 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES COc1cc(OC)nc(NCC2CCC(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)CC2)n1 |(19.23,-16.95,;19.26,-18.68,;17.79,-19.57,;17.82,-21.3,;16.33,-22.18,;16.35,-23.9,;17.87,-24.75,;14.83,-21.35,;14.81,-19.62,;13.31,-18.78,;11.83,-19.65,;10.31,-18.81,;8.84,-19.69,;7.33,-18.86,;7.3,-17.14,;5.79,-16.3,;4.3,-17.19,;2.94,-16.47,;2.95,-15.04,;1.58,-17.19,;1.58,-18.63,;-1.14,-18.62,;-1.12,-17.18,;-2.5,-16.46,;-3.86,-17.19,;-5.22,-16.48,;-6.56,-17.19,;-6.56,-18.63,;-5.2,-19.33,;-3.86,-18.63,;-2.5,-19.33,;-7.91,-19.33,;-9.28,-20.04,;-6.56,-20.06,;-9.27,-18.63,;-9.27,-17.19,;-7.91,-16.47,;-9.28,-15.75,;-6.56,-15.75,;.22,-16.46,;8.79,-16.25,;10.29,-17.09,;16.27,-18.73,)| Show InChI InChI=1S/C35H48N4O4/c1-22-16-27-28(35(4,5)15-14-34(27,2)3)18-25(22)17-26-12-13-29(43-26)32(40)36-20-23-8-10-24(11-9-23)21-37-33-38-30(41-6)19-31(39-33)42-7/h12-13,16,18-19,23-24H,8-11,14-15,17,20-21H2,1-7H3,(H,36,40)(H,37,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair