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BDBM50162019 3-((R)-2-Amino-2-phenyl-ethyl)-1-benzyl-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL434906

SMILES: Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1

InChI Key: InChIKey=ZDCNRZJGAXIEDG-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162019   
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))
BDBM50162019
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-benzyl-5-(2-fluor...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1 |wD:14.15,(3.95,-1.61,;2.61,-.84,;2.61,.7,;3.95,1.47,;5.27,.69,;6.61,1.46,;6.61,3,;5.27,3.77,;3.95,3,;2.61,3.77,;1.28,1.49,;1.28,3.03,;-.04,.7,;-1.38,1.47,;-2.7,.69,;-2.7,-.85,;-4.05,1.46,;-5.37,.69,;-6.71,1.45,;-6.71,3,;-5.38,3.77,;-4.05,3,;-.04,-.84,;-1.38,-1.61,;1.28,-1.59,;1.28,-3.13,;-.04,-3.9,;-1.38,-3.13,;-2.72,-3.9,;-2.72,-5.44,;-1.37,-6.21,;-.04,-5.44,)|
Show InChI InChI=1S/C26H24FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h2-15,23H,16-17,28H2,1H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair