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BDBM50261207 6-((R)-2-amino-2-phenylethyl)-3,8-bis(2-fluorophenyl)-2,3-dihydro-6H-thiazolo[3,2-f]pyrimidine-5,7-dione::CHEMBL523709

SMILES: N[C@@H](Cn1c(=O)c(c2SCC(c3ccccc3F)n2c1=O)-c1ccccc1F)c1ccccc1

InChI Key: InChIKey=WVAOLSBXBIROBU-HMTLIYDFSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50261207   
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))
BDBM50261207
PNG
(6-((R)-2-amino-2-phenylethyl)-3,8-bis(2-fluorophen...)
Show SMILES N[C@@H](Cn1c(=O)c(c2SCC(c3ccccc3F)n2c1=O)-c1ccccc1F)c1ccccc1 |r,wD:1.0,(22.56,.15,;22.55,1.69,;23.89,2.46,;25.22,1.7,;26.55,2.47,;26.55,4.01,;27.88,1.7,;27.88,.16,;29.02,-.86,;28.4,-2.26,;26.88,-2.1,;25.86,-3.24,;24.35,-2.92,;23.32,-4.07,;23.8,-5.54,;25.32,-5.85,;26.34,-4.7,;27.85,-5.01,;26.56,-.61,;25.22,.16,;23.89,-.62,;29.21,2.47,;30.54,1.7,;31.88,2.47,;31.88,4.01,;30.53,4.78,;29.2,4,;27.86,4.76,;21.22,2.45,;21.22,3.99,;19.89,4.76,;18.55,3.98,;18.56,2.44,;19.9,1.68,)|
Show InChI InChI=1S/C26H21F2N3O2S/c27-19-12-6-4-10-17(19)22-15-34-25-23(18-11-5-7-13-20(18)28)24(32)30(26(33)31(22)25)14-21(29)16-8-2-1-3-9-16/h1-13,21-22H,14-15,29H2/t21-,22?/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair