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BDBM332567 (2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-3-(trifluoromethyl)phenyl]carbonyl}-2,7-diazaspiro[3.5]non-2-yl)prop-2-en-1-one::US10196369, Compound C22

SMILES: Fc1ccc(cc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1

InChI Key: InChIKey=IBHIIWQDGQHLFZ-FPYGCLRLSA-N

Data: 1 IC50

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 = 332567   
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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332567
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-3-(trifluor...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C24H21BrF4N2O2/c25-18-5-1-16(2-6-18)3-8-21(32)31-14-23(15-31)9-11-30(12-10-23)22(33)17-4-7-20(26)19(13-17)24(27,28)29/h1-8,13H,9-12,14-15H2/b8-3+
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair