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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50115996'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50115996
PNG
(3-[(Benzyl-methyl-amino)-methyl]-8-(2,6-difluoro-b...)
Show SMILES CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(c(CN(C)Cc3ccccc3)n2c1=O)-c1ccc(NC(=O)c2ccsc2)cc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-3-47-35(46)28-20-42(19-27-29(37)10-7-11-30(27)38)36-40-32(24-12-14-26(15-13-24)39-33(44)25-16-17-48-22-25)31(43(36)34(28)45)21-41(2)18-23-8-5-4-6-9-23/h4-17,20,22H,3,18-19,21H2,1-2H3,(H,39,44)
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PC cid
PC sid
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Similars
PubMed
n/an/a 7n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of specific [125I]-leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells

Bioorg Med Chem Lett 12: 2073-7 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2G32
More data for this
Ligand-Target Pair