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BDBM50162010 3-((R)-2-Amino-2-phenyl-ethyl)-1-(3-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL179663

SMILES: Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccc(F)c1

InChI Key: InChIKey=SEYOJLYQIAAVHG-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162010   
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))
BDBM50162010
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(3-fluoro-benzyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccc(F)c1 |wD:14.15,(4,-1.38,;2.64,-.61,;2.64,.93,;4,1.72,;5.3,.93,;6.66,1.7,;6.66,3.24,;5.3,4.01,;3.97,3.24,;2.64,4.01,;1.31,1.72,;1.31,3.26,;.01,.93,;-1.35,1.72,;-2.68,.93,;-2.68,-.61,;-4.01,1.7,;-4.01,3.24,;-5.34,4.01,;-6.67,3.24,;-6.67,1.68,;-5.34,.93,;.01,-.61,;-1.35,-1.38,;1.31,-1.36,;1.31,-2.9,;-.02,-3.67,;-1.35,-2.89,;-2.68,-3.66,;-2.68,-5.2,;-1.32,-5.97,;-1.32,-7.51,;.01,-5.2,)|
Show InChI InChI=1S/C26H23F2N3O2/c1-17-24(21-12-5-6-13-22(21)28)25(32)31(16-23(29)19-9-3-2-4-10-19)26(33)30(17)15-18-8-7-11-20(27)14-18/h2-14,23H,15-16,29H2,1H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
61n/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