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BDBM50168715 1-((S)-3-Amino-3-phenyl-propyl)-3-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione::CHEMBL360047

SMILES: COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O

InChI Key: InChIKey=VBQOPVRVJRANQO-FQEVSTJZSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50168715   
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 1 (GnRHR1)


(Homo sapiens (Human))		BDBM50168715
PNG
(1-((S)-3-Amino-3-phenyl-propyl)-3-(2,6-difluoro-be...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC[C@H](N)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O |wD:15.16,(10.27,2.14,;8.94,1.37,;8.94,-.17,;10.29,-.94,;10.29,-2.48,;8.94,-3.25,;7.61,-2.48,;7.61,-.94,;6.28,-.17,;6.28,-3.25,;4.95,-2.48,;4.95,-.94,;3.62,-3.25,;2.27,-4.02,;.94,-3.23,;-.39,-4,;-.41,-5.54,;-1.72,-3.2,;-3.05,-3.97,;-4.38,-3.2,;-4.36,-1.66,;-3.03,-.89,;-1.7,-1.66,;3.62,-4.79,;2.29,-5.56,;4.95,-5.56,;4.95,-7.1,;6.28,-7.87,;6.28,-9.41,;4.93,-10.18,;7.61,-10.18,;8.94,-9.41,;8.94,-7.87,;7.61,-7.1,;6.26,-6.33,;6.28,-4.79,;7.61,-5.56,)|
Show InChI InChI=1S/C26H23F3N4O4/c1-37-22-12-6-11-21(23(22)29)33-25(35)31(14-13-20(30)16-7-3-2-4-8-16)24(34)32(26(33)36)15-17-18(27)9-5-10-19(17)28/h2-12,20H,13-15,30H2,1H3/t20-/m0/s1
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Article
PubMed
 24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...

Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair