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
50725631	CN(CC([O-])=O)C(=O)COP([O-])(=O)OP([O-])([O-])=O	InChI=1S/C5H11NO10P2/c1-6(2-5(8)9)4(7)3-15-18(13,14)16-17(10,11)12/h2-3H2,1H3,(H,8,9)(H,13,14)(H2,10,11,12)/p-4	KFTRLZCNVAMIQX-UHFFFAOYSA-J	50287711	[methyl({[(phosphonatooxy)phosphinato]oxy}acetyl)amino]acetate	Diphosphomevalonate decarboxylase	Homo sapiens		 300							ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287711	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287711&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306160	104129282	29067				C03517	ZINC36176515	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50725632	[O-]C(=O)[C@@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O	InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m0/s1	JFTJDUMMWOSHFL-YFKPBYRVSA-J	50287710	(2S)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)pyrrolidine-2-carboxylate	Diphosphomevalonate decarboxylase	Homo sapiens		 9							ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287710	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287710&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44303966	104129281	29067				C03517	ZINC36176509	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50725633	[O-]C(=O)CSCCOP([O-])(=O)OP([O-])([O-])=O	InChI=1S/C4H10O9P2S/c5-4(6)3-16-2-1-12-15(10,11)13-14(7,8)9/h1-3H2,(H,5,6)(H,10,11)(H2,7,8,9)/p-4	PLULEOHGEDXCSW-UHFFFAOYSA-J	50287712	[(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)thio]acetate	Diphosphomevalonate decarboxylase	Homo sapiens		 150							ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287712	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287712&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306129	104129283	29067				C03517	ZINC36176518	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50725634	CN(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O	InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)/p-4	YERUUUBBRAPJND-UHFFFAOYSA-J	50287713	[methyl(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)amino]acetate	Diphosphomevalonate decarboxylase	Homo sapiens	 750								ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287713	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287713&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306131	104129284	29067				C03517	ZINC36176522	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50725635	O[C@](CF)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O	InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/p-4/t6-/m1/s1	YIGLDWRZXXHIGZ-ZCFIWIBFSA-J	50287714	(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(phosphonatooxy)phosphinato]oxy}pentanoate	Diphosphomevalonate decarboxylase	Homo sapiens	 37								ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287714	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287714&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306086	104129285	29067				C03517	ZINC31414330	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50567708	[O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O	InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	JFTJDUMMWOSHFL-RXMQYKEDSA-J	50287715	(2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)pyrrolidine-2-carboxylate	Diphosphomevalonate decarboxylase	Homo sapiens		 15							ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287715	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287715&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306158	104129286	29067				C03517	ZINC36176512	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65						
50005593	[O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O	InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	JFTJDUMMWOSHFL-RXMQYKEDSA-J	50287715	(2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)pyrrolidine-2-carboxylate	Diphosphomevalonate decarboxylase	Homo sapiens		 15.0							ChEMBL	10.1016/0960-894X(96)00374-5	10.7270/Q2930TPB				Vlattas, I; Dellureficio, J; Ku, E; Bohacek, R; Xiaolu, Zhang	TBA	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287715	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002305&target=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287715&enzyme=Diphosphomevalonate+decarboxylase&column=ki&startPg=0&Increment=50&submit=Search			44306158	104129286	29067				C03517	ZINC36176512	1	MASEKPLAAVTCTAPVNIAVIKYWGKRDEELVLPINSSLSVTLHQDQLKTTTTAVISKDFTEDRIWLNGREEDVGQPRLQACLREIRCLARKRRNSRDGDPLPSSLSCKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVESDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQVAPESHWPELRVLILVVSAEKKLTGSTVGMRASVETSPLLRFRAESVVPARMAEMARCIRERDFPSFAQLTMKDSNQFHATCLDTFPPISYLNAISWRIIHLVHRFNAHHGDTKVAYTFDAGPNAVIFTLDDTVAEFVAAVWHGFPPGSNGDTFLKGLQVRPAPLSAELQAALAMEPTPGGVKYIIVTQVGPGPQILDDPCAHLLGPDGLPKPAA	3D4J	Diphosphomevalonate decarboxylase	MVD1_HUMAN	P53602	Q53Y65