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BDBM50429511 CHEMBL2332876

SMILES: CCCCCCCCCCCCCCCC(=O)NC[C@H](NC(=O)CNC(=O)CCNc1ccc([N+]([O-])=O)c2nonc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=CQPCNNXVJOCOJA-RLVKOSCQSA-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 = 50429511   
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
Palmitoyl-protein thioesterase 1


(Homo sapiens (Human))		BDBM50429511
PNG
(CHEMBL2332876)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H](NC(=O)CNC(=O)CCNc1ccc([N+]([O-])=O)c2nonc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C59H103N15O13/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-29-47(75)64-37-45(66-49(77)38-65-48(76)32-36-63-41-30-31-46(74(85)86)53-52(41)72-87-73-53)56(80)70-50(39(3)4)57(81)67-43(27-21-24-34-61)55(79)71-51(40(5)7-2)58(82)68-42(26-20-23-33-60)54(78)69-44(59(83)84)28-22-25-35-62/h30-31,39-40,42-45,50-51,63H,6-29,32-38,60-62H2,1-5H3,(H,64,75)(H,65,76)(H,66,77)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,71,79)(H,83,84)/t40-,42-,43-,44-,45-,50-,51-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PPT1 in human fibroblast/lymphoblast cell lysate using fluorescent-based MUGSP as substrate after 1 to 3 hrs

J Med Chem 56: 2705-25 (2013)


Article DOI: 10.1021/jm301557k
BindingDB Entry DOI: 10.7270/Q26111N4
More data for this
Ligand-Target Pair