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BDBM50332396 2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetate::CHEMBL1629904

InChI string: InChI=1S/C35H48N4O4/c1-32(2,3)26-15-13-25(14-16-26)30(41)37-19-17-35(18-20-37)31(42)38(24-39(35)27-11-9-8-10-12-27)23-29(40)43-28-21-33(4,5)36-34(6,7)22-28/h8-16,28,36H,17-24H2,1-7H3

SMILES: CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C2=O)c1ccccc1

InChI Key: InChIKey=FCPFLYPSHXYJIO-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50332396   
Target
(Institution)
LigandTarget
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
Niemann-Pick C1-like protein 1


(Homo sapiens)
BDBM50332396
PNG
(2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-tert-but...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)OC1CC(C)(C)NC(C)(C)C1)C2=O)c1ccccc1
Show InChI InChI=1S/C35H48N4O4/c1-32(2,3)26-15-13-25(14-16-26)30(41)37-19-17-35(18-20-37)31(42)38(24-39(35)27-11-9-8-10-12-27)23-29(40)43-28-21-33(4,5)36-34(6,7)22-28/h8-16,28,36H,17-24H2,1-7H3
PDB
MMDB

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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...


Bioorg Med Chem Lett 20: 6929-32 (2010)

More data for this
Ligand-Target Pair