BDBM50189734 CHEMBL264121::ethyl 2-(4-benzamidophenyl)-7-benzyl-3-((benzyl(methyl)amino)methyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)c2ccccc2)cc1

InChI Key: InChIKey=HFFPENASSUYKKM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50189734   

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))	BDBM50189734 (CHEMBL264121 | ethyl 2-(4-benzamidophenyl)-7-benzy...) Show SMILES CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C39H35N3O4S/c1-3-46-39(45)33-26-42(24-28-15-9-5-10-16-28)38-34(35(33)43)32(25-41(2)23-27-13-7-4-8-14-27)36(47-38)29-19-21-31(22-20-29)40-37(44)30-17-11-6-12-18-30/h4-22,26H,3,23-25H2,1-2H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells				J Med Chem 49: 3809-25 (2006) Article DOI: 10.1021/jm0512894 BindingDB Entry DOI: 10.7270/Q2VQ33G8
					More data for this Ligand-Target Pair