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BDBM50149259 3-((S)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL333850

SMILES: COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C2CCCC2)N(C)C)c1=O

InChI Key: InChIKey=QOJKFMVAFGKHPM-HSZRJFAPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50149259   
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))		BDBM50149259
PNG
(3-((S)-2-Cyclopentyl-2-dimethylamino-ethyl)-1-(2,6...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C2CCCC2)N(C)C)c1=O |wD:26.34,(26.87,2.44,;25.54,1.67,;25.54,.13,;26.88,-.64,;26.87,-2.19,;25.54,-2.95,;24.21,-2.18,;24.21,-.64,;22.88,.13,;22.87,-2.94,;22.87,-4.47,;24.2,-5.24,;21.52,-5.26,;21.52,-6.8,;22.85,-7.56,;22.85,-9.11,;21.52,-9.88,;24.18,-9.88,;25.53,-9.11,;25.53,-7.56,;24.18,-6.79,;25.28,-5.69,;20.19,-4.48,;20.17,-5.94,;20.19,-2.92,;18.86,-2.15,;17.53,-2.92,;17.53,-4.47,;16.29,-5.37,;16.76,-6.84,;18.3,-6.84,;18.77,-5.38,;16.2,-2.15,;14.87,-2.92,;16.2,-.61,;21.54,-2.15,;21.55,-.61,)|
Show InChI InChI=1S/C28H32F3N3O3/c1-17-25(19-11-7-14-24(37-4)26(19)31)27(35)34(16-23(32(2)3)18-9-5-6-10-18)28(36)33(17)15-20-21(29)12-8-13-22(20)30/h7-8,11-14,18,23H,5-6,9-10,15-16H2,1-4H3/t23-/m1/s1
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Article
PubMed
 2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...

J Med Chem 47: 3483-6 (2004)


Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX
More data for this
Ligand-Target Pair