BDBM50110600 5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-1H-benzoimidazole-2-carboxylic acid::CHEMBL352051

SMILES: C[C@H](CNCCc1ccc2nc([nH]c2c1)C(O)=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=AQWCEAQPXIENDG-WUXOVTSDSA-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 = 50110600   

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))	BDBM50110600 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(O)=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;28.5,-6.07,;29.37,-7.59,;29.39,-4.56,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C40H47N5O3/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-41-15-14-26-8-12-33-34(19-26)44-37(43-33)38(46)47)31-20-29(9-13-32(31)42-36)40(4,5)39(48)45-22-27-6-10-30(45)11-7-27/h8-9,12-13,16-20,25,27,30,41-42H,6-7,10-11,14-15,21-22H2,1-5H3,(H,43,44)(H,46,47)/t25-,27?,30?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50110600 (5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1...) Show SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(O)=O)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.53,-2.59,;13.53,-4.34,;15.04,-5.21,;16.54,-4.34,;18.05,-5.21,;19.58,-4.34,;21.07,-5.22,;21.09,-6.97,;22.6,-7.81,;24.08,-6.94,;25.74,-7.47,;26.76,-6.07,;25.75,-4.67,;24.08,-5.21,;22.58,-4.34,;28.5,-6.07,;29.37,-7.59,;29.39,-4.56,;12.02,-5.21,;12.04,-6.73,;10.72,-7.51,;9.4,-6.75,;8.1,-7.52,;6.77,-6.78,;6.76,-5.25,;8.07,-4.48,;9.39,-5.22,;5.43,-4.5,;4.34,-3.41,;6.19,-3.16,;4.11,-5.27,;4.14,-6.8,;2.79,-4.52,;3.7,-3.24,;1.94,-2.18,;.01,-3.05,;-.86,-4.43,;1.01,-3.44,;1.01,-1.89,;1.94,-.95,;13.36,-7.49,;13.37,-9,;14.69,-9.76,;14.71,-11.28,;16.01,-8.98,;15.99,-7.44,;17.31,-6.67,;14.67,-6.7,)| Show InChI InChI=1S/C40H47N5O3/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-41-15-14-26-8-12-33-34(19-26)44-37(43-33)38(46)47)31-20-29(9-13-32(31)42-36)40(4,5)39(48)45-22-27-6-10-30(45)11-7-27/h8-9,12-13,16-20,25,27,30,41-42H,6-7,10-11,14-15,21-22H2,1-5H3,(H,43,44)(H,46,47)/t25-,27?,30?/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 Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]-inositol phosphate hydrolysis				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair