BDBM50122656 CHEMBL280365::N-{4-[5-[(Benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-3-(3-methoxy-phenyl)-2,4-dioxo-1,2,3,4-tetrahydro-thieno[2,3-d]pyrimidin-6-yl]-phenyl}-isobutyramide; HCL.H2O

SMILES: COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1

InChI Key: InChIKey=NCNKFVKUGBSINN-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 = 50122656   

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 receptor (Homo sapiens (Human))	BDBM50122656 (CHEMBL280365 | N-{4-[5-[(Benzyl-methyl-amino)-meth...) Show SMILES COc1cccc(c1)-n1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)Cc3ccccc3)c2c1=O)-c1ccc(NC(=O)C(C)C)cc1 Show InChI InChI=1S/C39H36F2N4O4S/c1-24(2)36(46)42-27-18-16-26(17-19-27)35-31(22-43(3)21-25-10-6-5-7-11-25)34-37(47)45(28-12-8-13-29(20-28)49-4)39(48)44(38(34)50-35)23-30-32(40)14-9-15-33(30)41/h5-20,24H,21-23H2,1-4H3,(H,42,46)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese ...				J Med Chem 46: 113-24 (2002) Article DOI: 10.1021/jm020180i BindingDB Entry DOI: 10.7270/Q26W9BTR
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