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BDBM50152702 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(4-fluoro-phenyl)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL438201

SMILES: Cc1c(-c2csc(n2)-c2ccc(F)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F

InChI Key: InChIKey=QNGXNBXGSZLROB-DEOSSOPVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152702   
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))
BDBM50152702
PNG
(3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...)
Show SMILES Cc1c(-c2csc(n2)-c2ccc(F)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show InChI InChI=1S/C29H23F3N4O2S/c1-17-26(25-16-39-27(34-25)19-10-12-20(30)13-11-19)28(37)36(15-24(33)18-6-3-2-4-7-18)29(38)35(17)14-21-22(31)8-5-9-23(21)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]-GnRH as radioliga...


Bioorg Med Chem Lett 14: 4967-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.022
BindingDB Entry DOI: 10.7270/Q2FF3RT4
More data for this
Ligand-Target Pair