BDBM50347991 CHEMBL1800670

SMILES: CCOCCn1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)CCOC)c2c1=O)-c1ccc(NC(=O)NOC)cc1

InChI Key: InChIKey=GRKANJRMMDQVRY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50347991   

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))	BDBM50347991 (CHEMBL1800670) Show SMILES CCOCCn1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)CCOC)c2c1=O)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C30H35F2N5O6S/c1-5-43-16-14-36-27(38)25-22(17-35(2)13-15-41-3)26(19-9-11-20(12-10-19)33-29(39)34-42-4)44-28(25)37(30(36)40)18-21-23(31)7-6-8-24(21)32/h6-12H,5,13-18H2,1-4H3,(H2,33,34,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50347991 (CHEMBL1800670) Show SMILES CCOCCn1c(=O)n(Cc2c(F)cccc2F)c2sc(c(CN(C)CCOC)c2c1=O)-c1ccc(NC(=O)NOC)cc1 Show InChI InChI=1S/C30H35F2N5O6S/c1-5-43-16-14-36-27(38)25-22(17-35(2)13-15-41-3)26(19-9-11-20(12-10-19)33-29(39)34-42-4)44-28(25)37(30(36)40)18-21-23(31)7-6-8-24(21)32/h6-12H,5,13-18H2,1-4H3,(H2,33,34,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachadonic acid release using [5,6,8,9,11,1...				J Med Chem 54: 4998-5012 (2011) Article DOI: 10.1021/jm200216q BindingDB Entry DOI: 10.7270/Q22N52MK
					More data for this Ligand-Target Pair