BDBM160330 US9040693, 367

SMILES: COCCOc1ccc(F)c(F)c1COc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O

InChI Key: InChIKey=VBCUMMKWZIJEND-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 = 160330   

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))	BDBM160330 (US9040693, 367) Show SMILES COCCOc1ccc(F)c(F)c1COc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(10.34,-2.69,;9.01,-3.46,;7.68,-2.69,;6.34,-3.46,;5.01,-2.69,;5.01,-1.15,;6.34,-.38,;6.34,1.16,;5.01,1.93,;5.01,3.47,;3.68,1.16,;2.34,1.93,;3.68,-.38,;2.34,-1.15,;1.01,-.38,;-.33,-1.15,;-.33,-2.69,;-1.66,-3.47,;-2.99,-2.69,;-4.33,-3.47,;-2.99,-1.15,;-1.66,-.38,;-4.33,-.38,;-4.33,1.15,;-2.99,1.93,;-5.66,1.93,;-6.99,1.15,;-8.46,1.63,;-9.36,.38,;-8.46,-.86,;-8.86,-2.35,;-10.34,-2.75,;-7.77,-3.44,;-6.99,-.38,;-5.66,-1.15,;-5.66,-2.69,)| Show InChI InChI=1S/C23H17F3N2O7S/c1-33-6-7-34-17-5-4-14(25)19(26)12(17)9-35-11-2-3-13(24)16(8-11)28-21(29)18-15(27-23(28)32)10-36-20(18)22(30)31/h2-5,8,10H,6-7,9H2,1H3,(H,27,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	37
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...				US Patent US9040693 (2015) BindingDB Entry DOI: 10.7270/Q21R6P8N
					More data for this Ligand-Target Pair