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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Palmitoyl-protein thioesterase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Palmitoyl-protein thioesterase 1


(Homo sapiens)
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
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
AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Palmitoyl-protein thioesterase 1


(Homo sapiens)
BDBM50429510
PNG
(CHEMBL2332875)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H](NC(=O)CNC(C)=O)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
Show InChI InChI=1S/C52H99N11O10/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-30-43(65)57-34-42(58-44(66)35-56-38(6)64)49(69)62-45(36(3)4)50(70)59-40(28-22-25-32-54)48(68)63-46(37(5)8-2)51(71)60-39(27-21-24-31-53)47(67)61-41(52(72)73)29-23-26-33-55/h36-37,39-42,45-46H,7-35,53-55H2,1-6H3,(H,56,64)(H,57,65)(H,58,66)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,68)(H,72,73)/t37-,39-,40-,41-,42-,45-,46-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PPT1 (unknown origin) in cell lysates using fluorescent-based MUGSP as substrate after 1 to 3 hrs


Citation and Details
More data for this
Ligand-Target Pair