BDBM50189737 CHEMBL212207::ethyl 7-(2-methoxybenzyl)-3-((benzyl(methyl)amino)methyl)-4-oxo-2-phenyl-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccccc1

InChI Key: InChIKey=APSMEWJRATXUIE-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 = 50189737   

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))	BDBM50189737 (CHEMBL212207 | ethyl 7-(2-methoxybenzyl)-3-((benzy...) Show SMILES CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccccc1 Show InChI InChI=1S/C33H32N2O4S/c1-4-39-33(37)27-22-35(20-25-17-11-12-18-28(25)38-3)32-29(30(27)36)26(31(40-32)24-15-9-6-10-16-24)21-34(2)19-23-13-7-5-8-14-23/h5-18,22H,4,19-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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