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BDBM332624 3-(4-chlorophenyl)-1-(2-{[4-(trifluoromethyl)phenyl]carbonyl}-2,7-diazaspiro[3.5]non-7-yl)prop-2-yn-1-one::US10196369, Compound C79

SMILES: FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Cl)cc1

InChI Key: InChIKey=HSHKHMHEKXOMSH-UHFFFAOYSA-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 = 332624   
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))
BDBM332624
PNG
(3-(4-chlorophenyl)-1-(2-{[4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)29-13-11-23(12-14-29)15-30(16-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
KEGG

UniProtKB/SwissProt

GoogleScholar
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