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BDBM332636 3-(4-chlorophenyl)-1-{7-[(4-methoxyphenyl)carbonyl]-2,7-diazaspiro[3.5]non-2-yl}prop-2-yn-1-one::US10196369, Compound C91

SMILES: COc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)C#Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=LQKCSKWCKHWMEV-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 = 332636   
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))
BDBM332636
PNG
(3-(4-chlorophenyl)-1-{7-[(4-methoxyphenyl)carbonyl...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H23ClN2O3/c1-30-21-9-5-19(6-10-21)23(29)26-14-12-24(13-15-26)16-27(17-24)22(28)11-4-18-2-7-20(25)8-3-18/h2-3,5-10H,12-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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