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BDBM50144640 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-6-fluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione; TFA::CHEMBL75347

SMILES: Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl

InChI Key: InChIKey=XQCAPMQFOQTBDQ-QHCPKHFHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144640   
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 receptor


(Homo sapiens (Human))
BDBM50144640
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-6-fluor...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl |wD:14.15,(5.34,.51,;3.8,.51,;3.03,1.84,;3.8,3.17,;5.34,3.17,;6.11,4.5,;5.34,5.85,;3.79,5.83,;3.03,4.5,;1.49,4.5,;1.49,1.84,;.71,3.17,;.73,.51,;-.81,.51,;-2.14,-.26,;-2.14,-1.8,;-3.47,.51,;-3.47,2.05,;-4.81,2.82,;-6.14,2.05,;-6.14,.51,;-4.81,-.26,;1.5,-.82,;.73,-2.15,;3.03,-.82,;3.8,-2.15,;3.03,-3.49,;1.49,-3.49,;1.89,-1.99,;.72,-4.82,;1.49,-6.15,;3.04,-6.15,;3.8,-4.81,;5.34,-4.79,)|
Show InChI InChI=1S/C26H22ClF2N3O2/c1-16-24(18-10-5-6-12-21(18)28)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-20(27)11-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin-releasing hormone receptor expressed in HEK293 cells using des-Gly10-[125I]Tyr,5 DLeu,6 NMeLeu,7 Pro9-NEt...


Bioorg Med Chem Lett 14: 2269-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.004
BindingDB Entry DOI: 10.7270/Q2736QCQ
More data for this
Ligand-Target Pair