BDBM50110592 1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(3-isoquinolin-6-yl-propylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one::CHEMBL168637

SMILES: C[C@H](CNCCCc1ccc2cnccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key: InChIKey=LJDLFSDWVDLEPN-QUYLBPGCSA-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 = 50110592   

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))	BDBM50110592 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCc1ccc2cnccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:33.34:37.36| Show InChI InChI=1S/C41H48N4O/c1-26-19-27(2)21-32(20-26)39-38(28(3)24-42-17-6-7-29-8-9-31-25-43-18-16-30(31)22-29)36-23-33(10-15-37(36)44-39)41(4,5)40(46)45-34-11-12-35(45)14-13-34/h8-10,15-16,18-23,25,28,34-35,42,44H,6-7,11-14,17,24H2,1-5H3/t28-,34?,35?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	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))	BDBM50110592 (1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimeth...) Show SMILES C[C@H](CNCCCc1ccc2cnccc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:29:31:33.34:37.36| Show InChI InChI=1S/C41H48N4O/c1-26-19-27(2)21-32(20-26)39-38(28(3)24-42-17-6-7-29-8-9-31-25-43-18-16-30(31)22-29)36-23-33(10-15-37(36)44-39)41(4,5)40(46)45-34-11-12-35(45)14-13-34/h8-10,15-16,18-23,25,28,34-35,42,44H,6-7,11-14,17,24H2,1-5H3/t28-,34?,35?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-buserelin binding to human pituitary gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 827-32 (2002) BindingDB Entry DOI: 10.7270/Q2G73D1X
					More data for this Ligand-Target Pair