BDBM50120661 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(2,6-dimethyl-1-oxy-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methyl-propan-1-one::CHEMBL431402

SMILES: C[C@H](CNCCc1cc(C)[n+]([O-])c(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=KUJZYYKZQLPZBE-PKWVSMGWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50120661   

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))	BDBM50120661 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(2...) Show SMILES C[C@H](CNCCc1cc(C)[n+]([O-])c(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)43(45)28(5)20-30)34-21-32(10-13-35(34)41-37)39(6,7)38(44)42-23-29-8-11-33(42)12-9-29/h10,13,16-21,26,29,33,40-41H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3329-32 (2002) Article DOI: 10.1016/s0960-894x(02)00751-5 BindingDB Entry DOI: 10.7270/Q2668CHV
					More data for this Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1) (Homo sapiens (Human))	BDBM50120661 (1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[3-{(S)-2-[2-(2...) Show SMILES C[C@H](CNCCc1cc(C)[n+]([O-])c(C)c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C39H50N4O2/c1-24-16-25(2)18-31(17-24)37-36(26(3)22-40-15-14-30-19-27(4)43(45)28(5)20-30)34-21-32(10-13-35(34)41-37)39(6,7)38(44)42-23-29-8-11-33(42)12-9-29/h10,13,16-21,26,29,33,40-41H,8-9,11-12,14-15,22-23H2,1-7H3/t26-,29?,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	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 I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3329-32 (2002) Article DOI: 10.1016/s0960-894x(02)00751-5 BindingDB Entry DOI: 10.7270/Q2668CHV
					More data for this Ligand-Target Pair