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BDBM50168719 1-(3-Amino-2-phenyl-propyl)-3-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-[1,3,5]triazinane-2,4,6-trione::CHEMBL177523

SMILES: COc1cccc(c1)-n1c(=O)n(CC(CN)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O

InChI Key: InChIKey=GQKNFDQUITYUGA-UHFFFAOYSA-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 = 50168719   
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))
BDBM50168719
PNG
(1-(3-Amino-2-phenyl-propyl)-3-(2,6-difluoro-benzyl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CC(CN)c2ccccc2)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H24F2N4O4/c1-36-20-10-5-9-19(13-20)32-25(34)30(15-18(14-29)17-7-3-2-4-8-17)24(33)31(26(32)35)16-21-22(27)11-6-12-23(21)28/h2-13,18H,14-16,29H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/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