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SMILES: COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(CCO)c(=O)c12)-c1ccc(NC(=O)NOC)cc1

InChI Key: InChIKey=FGGWCOLDQRWNMZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347999   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50347999
PNG
(CHEMBL1800150)
Show SMILES COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(CCO)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show InChI InChI=1S/C28H31F2N5O6S/c1-33(12-14-40-2)15-20-23-25(37)34(11-13-36)28(39)35(16-19-21(29)5-4-6-22(19)30)26(23)42-24(20)17-7-9-18(10-8-17)31-27(38)32-41-3/h4-10,36H,11-16H2,1-3H3,(H2,31,32,38)
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Similars
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/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