BDBM50189726 CHEMBL264574::ethyl 3-(N-benzyl-N-methylaminomethyl)-4,7-dihydro-2-[4-(1,3-dimethyluriedo)phenyl]-7-(2-fluorobenzyl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylate

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

InChI Key: InChIKey=NSSJCYGGRMNCTP-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 = 50189726   

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))	BDBM50189726 (CHEMBL264574 | ethyl 3-(N-benzyl-N-methylaminometh...) Show SMILES CCOC(=O)c1cn(Cc2ccccc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(cc1)N(C)C(=O)NC Show InChI InChI=1S/C35H36N4O4S/c1-5-43-34(41)29-23-39(21-25-14-10-7-11-15-25)33-30(31(29)40)28(22-37(3)20-24-12-8-6-9-13-24)32(44-33)26-16-18-27(19-17-26)38(4)35(42)36-2/h6-19,23H,5,20-22H2,1-4H3,(H,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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