BDBM50110616 1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(4-isoquinolin-5-yl-butylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one::CHEMBL170499

SMILES: C[C@H](CNCCCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=ZYJWQOPJJJPWMH-GVOFKLESSA-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 = 50110616   

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))	BDBM50110616 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:30:32:37.38:34.35| Show InChI InChI=1S/C42H50N4O/c1-27-21-28(2)23-32(22-27)40-39(29(3)25-43-19-7-6-9-30-10-8-11-31-26-44-20-18-36(30)31)37-24-33(12-17-38(37)45-40)42(4,5)41(47)46-34-13-14-35(46)16-15-34/h8,10-12,17-18,20-24,26,29,34-35,43,45H,6-7,9,13-16,19,25H2,1-5H3/t29-,34?,35?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	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))	BDBM50110616 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:30:32:37.38:34.35| Show InChI InChI=1S/C42H50N4O/c1-27-21-28(2)23-32(22-27)40-39(29(3)25-43-19-7-6-9-30-10-8-11-31-26-44-20-18-36(30)31)37-24-33(12-17-38(37)45-40)42(4,5)41(47)46-34-13-14-35(46)16-15-34/h8,10-12,17-18,20-24,26,29,34-35,43,45H,6-7,9,13-16,19,25H2,1-5H3/t29-,34?,35?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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