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BDBM50332397 2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetate::CHEMBL1629905

InChI string: InChI=1S/C37H50N4O4/c1-35(2)23-31(24-36(3,4)38-35)45-32(42)25-40-26-41(30-13-9-6-10-14-30)37(34(40)44)19-21-39(22-20-37)33(43)29-17-15-28(16-18-29)27-11-7-5-8-12-27/h6,9-10,13-18,27,31,38H,5,7-8,11-12,19-26H2,1-4H3

SMILES: CC1(C)CC(CC(C)(C)N1)OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O

InChI Key: InChIKey=GGPSXLGYSJTGMV-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 = 50332397   
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)
BDBM50332397
PNG
(2,2,6,6-tetramethylpiperidin-4-yl 2-(8-(4-cyclohex...)
Show SMILES CC1(C)CC(CC(C)(C)N1)OC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
Show InChI InChI=1S/C37H50N4O4/c1-35(2)23-31(24-36(3,4)38-35)45-32(42)25-40-26-41(30-13-9-6-10-14-30)37(34(40)44)19-21-39(22-20-37)33(43)29-17-15-28(16-18-29)27-11-7-5-8-12-27/h6,9-10,13-18,27,31,38H,5,7-8,11-12,19-26H2,1-4H3
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Article
PubMed
n/an/a 600n/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