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BDBM50162017 3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-(5-fluoro-2-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL362065

SMILES: Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F

InChI Key: InChIKey=CDBHRNGOYLXFNO-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162017   
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))
BDBM50162017
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cc(F)ccc1C(F)(F)F |wD:14.15,(3.83,-.8,;2.5,-.03,;2.5,1.51,;3.83,2.28,;5.16,1.49,;6.49,2.26,;6.49,3.8,;5.16,4.57,;3.83,3.8,;2.5,4.59,;1.17,2.28,;1.17,3.82,;-.16,1.51,;-1.49,2.28,;-2.82,1.49,;-2.82,-.05,;-4.15,2.26,;-5.48,1.49,;-6.81,2.26,;-6.83,3.8,;-5.48,4.57,;-4.15,3.8,;-.16,-.03,;-1.49,-.8,;1.17,-.8,;1.17,-2.34,;-.16,-3.11,;-1.49,-2.32,;-2.82,-3.09,;-4.15,-2.32,;-2.82,-4.63,;-1.49,-5.4,;-.16,-4.63,;1.19,-5.4,;2.4,-6.1,;1.45,-6.98,;2.68,-4.83,)|
Show InChI InChI=1S/C27H22F5N3O2/c1-16-24(20-9-5-6-10-22(20)29)25(36)35(15-23(33)17-7-3-2-4-8-17)26(37)34(16)14-18-13-19(28)11-12-21(18)27(30,31)32/h2-13,23H,14-15,33H2,1H3/t23-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/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