BDBM50104552 (S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropan-1-one::1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(2-pyridin-4-yl-ethylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one::CHEMBL314260

SMILES: C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=GGVFLXSCFPVLMS-WPCLDFDBSA-N

Data: 3 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 3 hits for monomerid = 50104552   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50104552 ((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20	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))	BDBM50104552 ((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]-buserelin.				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 (Rattus norvegicus)	BDBM50104552 ((S)-1-(2-aza-bicyclo[2.2.2]octan-2-yl)-2-(2-(3,5-d...) Show SMILES C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |r,wD:1.0,TLB:24:26:29.30:33.32,(25.26,-8.15,;26.29,-9.29,;27.8,-8.96,;28.26,-7.49,;29.77,-7.16,;30.24,-5.69,;31.74,-5.37,;32.77,-6.5,;34.27,-6.18,;34.74,-4.71,;33.7,-3.57,;32.2,-3.9,;25.83,-10.75,;26.74,-12,;25.84,-13.25,;24.37,-12.78,;23.03,-13.56,;21.7,-12.79,;21.7,-11.25,;23.03,-10.48,;24.36,-11.24,;20.36,-10.48,;21.13,-9.14,;19.6,-11.81,;19.02,-9.71,;19.02,-8.17,;17.69,-10.48,;16.41,-9.46,;14.8,-9.85,;13.82,-8.69,;14.04,-10.08,;15.23,-11.49,;14.85,-12.73,;14.16,-11.3,;28.28,-11.99,;29.03,-10.65,;30.57,-10.64,;31.33,-9.3,;31.36,-11.97,;30.59,-13.31,;31.37,-14.64,;29.05,-13.32,)| Show InChI InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc Curated by ChEMBL					Assay Description Binding affinity at rat GnRH receptor by whole cell binding assay				J Med Chem 51: 3331-48 (2008) Article DOI: 10.1021/jm701249f BindingDB Entry DOI: 10.7270/Q2KD1XQ0
					More data for this Ligand-Target Pair