BDBM50189710 CHEMBL378654::ethyl 7-(4-methoxybenzyl)-3-((benzyl(methyl)amino)methyl)-2-(4-methoxyphenyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1

InChI Key: InChIKey=KRIBGAKMALWAFC-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 = 50189710   

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))	BDBM50189710 (CHEMBL378654 | ethyl 7-(4-methoxybenzyl)-3-((benzy...) Show SMILES CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C34H34N2O5S/c1-5-41-34(38)29-22-36(20-24-11-15-26(39-3)16-12-24)33-30(31(29)37)28(21-35(2)19-23-9-7-6-8-10-23)32(42-33)25-13-17-27(40-4)18-14-25/h6-18,22H,5,19-21H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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
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