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SMILES: C[C@H](CNCCc1ccnc(CO)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=XVPDAZBIIIETTF-IGBPDSSZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50120662   

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))	BDBM50120662 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1ccnc(CO)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(9.34,2.52,;9.81,1.05,;11.34,.72,;12.38,1.87,;13.89,1.54,;14.93,2.68,;16.45,2.33,;16.89,.84,;18.4,.49,;19.44,1.63,;19.02,3.1,;20.07,4.22,;21.57,3.87,;17.5,3.45,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;5.13,3.29,;2.97,3.62,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;-.98,4.08,;-1.58,2.8,;-.11,3.08,;.1,4.98,;.8,5.96,;10.55,-2.1,;11.7,-1.08,;13.17,-1.55,;14.33,-.51,;13.5,-3.05,;12.33,-4.1,;12.65,-5.62,;10.86,-3.61,)| Show InChI InChI=1S/C38H48N4O2/c1-24-16-25(2)18-29(17-24)36-35(26(3)21-39-14-12-27-13-15-40-31(19-27)23-43)33-20-30(8-11-34(33)41-36)38(4,5)37(44)42-22-28-6-9-32(42)10-7-28/h8,11,13,15-20,26,28,32,39,41,43H,6-7,9-10,12,14,21-23H2,1-5H3/t26-,28?,32?/m1/s1	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 Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotr...				Bioorg Med Chem Lett 12: 3329-32 (2002) BindingDB Entry DOI: 10.7270/Q2668CHV
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50120662 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES C[C@H](CNCCc1ccnc(CO)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:26:28:32.31:34.35,(9.34,2.52,;9.81,1.05,;11.34,.72,;12.38,1.87,;13.89,1.54,;14.93,2.68,;16.45,2.33,;16.89,.84,;18.4,.49,;19.44,1.63,;19.02,3.1,;20.07,4.22,;21.57,3.87,;17.5,3.45,;8.75,-.12,;9.08,-1.62,;7.76,-2.39,;6.62,-1.36,;5.08,-1.53,;4.17,-.29,;4.8,1.11,;6.32,1.28,;7.23,.05,;3.89,2.36,;5.13,3.29,;2.97,3.62,;2.64,1.47,;2.81,-.05,;1.22,2.07,;1.75,3.36,;.48,4.34,;-.98,4.08,;-1.58,2.8,;-.11,3.08,;.1,4.98,;.8,5.96,;10.55,-2.1,;11.7,-1.08,;13.17,-1.55,;14.33,-.51,;13.5,-3.05,;12.33,-4.1,;12.65,-5.62,;10.86,-3.61,)| Show InChI InChI=1S/C38H48N4O2/c1-24-16-25(2)18-29(17-24)36-35(26(3)21-39-14-12-27-13-15-40-31(19-27)23-43)33-20-30(8-11-34(33)41-36)38(4,5)37(44)42-22-28-6-9-32(42)10-7-28/h8,11,13,15-20,26,28,32,39,41,43H,6-7,9-10,12,14,21-23H2,1-5H3/t26-,28?,32?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotr...				Bioorg Med Chem Lett 12: 3329-32 (2002) BindingDB Entry DOI: 10.7270/Q2668CHV
					More data for this Ligand-Target Pair