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BDBM50291830 CHEMBL4175063

SMILES: COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCOCC2)c1=O

InChI Key: InChIKey=CFCSFYDCTIQETN-NRFANRHFSA-N

Data: 1 IC50

PDB links: 5 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291830   
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))
BDBM50291830
PNG
(CHEMBL4175063)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)C2CCOCC2)c1=O
Show InChI InChI=1S/C26H28F3N3O4/c1-15-23(17-5-3-8-22(35-2)24(17)29)25(33)32(14-21(30)16-9-11-36-12-10-16)26(34)31(15)13-18-19(27)6-4-7-20(18)28/h3-8,16,21H,9-14,30H2,1-2H3/t21-/m0/s1
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Similars

PubMed
n/an/a>100n/an/an/an/an/an/a



TiumBio Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method


Eur J Med Chem 145: 413-424 (2018)


BindingDB Entry DOI: 10.7270/Q2XK8J2D
More data for this
Ligand-Target Pair