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SMILES: COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1

InChI Key: InChIKey=GIQVPSQYEHMLRH-WPCLDFDBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50104561   

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))	BDBM50104561 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1 |wD:10.10,TLB:24:26:30.29:32.33,(18.25,3.96,;17.48,2.63,;15.94,2.63,;15.17,3.98,;13.63,3.98,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,1.31,;15.17,1.3,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50104561 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...) Show SMILES COc1ccc(CCNC[C@@H](C)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N2CC3CCC2CC3)-c2cc(C)cc(C)c2)cn1 |wD:10.10,TLB:24:26:30.29:32.33,(18.25,3.96,;17.48,2.63,;15.94,2.63,;15.17,3.98,;13.63,3.98,;12.86,2.65,;11.32,2.65,;10.55,1.32,;9.01,1.33,;8.24,,;6.7,.02,;5.93,1.35,;5.91,-1.31,;6.53,-2.73,;5.39,-3.74,;4.06,-2.97,;2.6,-3.44,;1.47,-2.41,;1.8,-.91,;3.25,-.44,;4.39,-1.48,;.66,.13,;-.44,1.23,;2.15,.54,;-.81,-.33,;-1.14,-1.84,;-2.05,.6,;-1.65,1.93,;-2.82,2.33,;-4.43,1.7,;-5.08,.2,;-3.63,.82,;-3.63,2.98,;-2.82,4.08,;8.03,-3.06,;8.5,-4.53,;10.01,-4.85,;10.48,-6.31,;11.04,-3.71,;10.57,-2.24,;11.6,-1.1,;9.06,-1.91,;13.63,1.31,;15.17,1.3,)| Show InChI InChI=1S/C38H48N4O2/c1-24-17-25(2)19-29(18-24)36-35(26(3)21-39-16-15-27-9-14-34(44-6)40-22-27)32-20-30(10-13-33(32)41-36)38(4,5)37(43)42-23-28-7-11-31(42)12-8-28/h9-10,13-14,17-20,22,26,28,31,39,41H,7-8,11-12,15-16,21,23H2,1-6H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells sta...				Bioorg Med Chem Lett 11: 2597-602 (2001) BindingDB Entry DOI: 10.7270/Q2NV9HKC
					More data for this Ligand-Target Pair