BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
51053047	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	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	SSURIIAIKWTPNE-IQJFSRJNSA-N	50429510	CHEMBL2332875	Palmitoyl-protein thioesterase 1	Homo sapiens		 10000							ChEMBL	10.1021/jm301557k	10.7270/Q26111N4	23363020			Boyd, RE; Lee, G; Rybczynski, P; Benjamin, ER; Khanna, R; Wustman, BA; Valenzano, KJ	Amicus Therapeutics, Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50429510	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006355&target=Palmitoyl-protein+thioesterase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50429510&enzyme=Palmitoyl-protein+thioesterase+1&column=ki&startPg=0&Increment=50&submit=Search			71717600	164158385		CHEMBL2332875					1	MASPGCLWLLAVALLPWTCASRALQHLDPPAPLPLVIWHGMGDSCCNPLSMGAIKKMVEKKIPGIYVLSLEIGKTLMEDVENSFFLNVNSQVTTVCQALAKDPKLQQGYNAMGFSQGGQFLRAVAQRCPSPPMINLISVGGQHQGVFGLPRCPGESSHICDFIRKTLNAGAYSKVVQERLVQAEYWHDPIKEDVYRNHSIFLADINQERGINESYKKNLMALKKFVMVKFLNDSIVDPVDSEWFGFYRSGQAKETIPLQETSLYTQDRLGLKEMDNAGQLVFLATEGDHLQLSEEWFYAHIIPFLG	1EH5,1EI9,1EXW	Palmitoyl-protein thioesterase 1	PPT1_HUMAN	P50897	B4DY24 Q6FGQ4						
51053048	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=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	CQPCNNXVJOCOJA-RLVKOSCQSA-N	50429511	CHEMBL2332876	Palmitoyl-protein thioesterase 1	Homo sapiens		 2000							ChEMBL	10.1021/jm301557k	10.7270/Q26111N4	23363020			Boyd, RE; Lee, G; Rybczynski, P; Benjamin, ER; Khanna, R; Wustman, BA; Valenzano, KJ	Amicus Therapeutics, Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50429511	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006355&target=Palmitoyl-protein+thioesterase+1&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50429511&enzyme=Palmitoyl-protein+thioesterase+1&column=ki&startPg=0&Increment=50&submit=Search			71720645	164158386		CHEMBL2332876					1	MASPGCLWLLAVALLPWTCASRALQHLDPPAPLPLVIWHGMGDSCCNPLSMGAIKKMVEKKIPGIYVLSLEIGKTLMEDVENSFFLNVNSQVTTVCQALAKDPKLQQGYNAMGFSQGGQFLRAVAQRCPSPPMINLISVGGQHQGVFGLPRCPGESSHICDFIRKTLNAGAYSKVVQERLVQAEYWHDPIKEDVYRNHSIFLADINQERGINESYKKNLMALKKFVMVKFLNDSIVDPVDSEWFGFYRSGQAKETIPLQETSLYTQDRLGLKEMDNAGQLVFLATEGDHLQLSEEWFYAHIIPFLG	1EH5,1EI9,1EXW	Palmitoyl-protein thioesterase 1	PPT1_HUMAN	P50897	B4DY24 Q6FGQ4