Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Palmitoyl-protein thioesterase 1'   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Palmitoyl-protein thioesterase 1 (Homo sapiens (Human))	BDBM50429511 (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/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
Palmitoyl-protein thioesterase 1 (Homo sapiens (Human))	BDBM50429510 (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 |r| 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	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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				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