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
51188295	OC(=O)C(F)(F)F.Nc1ccn([C@@H]2O[C@H](CNC(=O)CCc3nc4ccccc4[nH]3)[C@@H](O)[C@H]2O)c(=O)n1	InChI=1S/C19H22N6O5.C2HF3O2/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14;3-2(4,5)1(6)7/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29);(H,6,7)/t12-,16-,17-,18-;/m1./s1	OURNBUIIUSUSIA-NWZNOLOQSA-N	50488597	CHEMBL2289488	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase			 1700							ChEMBL	10.1002/ps.3479	10.7270/Q2DZ0C67	23471898			Witschel, M; Röhl, F; Niggeweg, R; Newton, T	BASF-SE	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50488597	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000166&target=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50488597&enzyme=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search			24878973	433955862							1	MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML	1OJ4,2WW4	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	ISPE_ECOLI	P62615	P24209						
51390889	CCCn1c(C)cc(c1C)-c1csc(NC(=O)c2cccs2)n1	InChI=1S/C17H19N3OS2/c1-4-7-20-11(2)9-13(12(20)3)14-10-23-17(18-14)19-16(21)15-6-5-8-22-15/h5-6,8-10H,4,7H2,1-3H3,(H,18,19,21)	SECIKLCPKVAIST-UHFFFAOYSA-N	50562011	CHEMBL4752949	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase			 68000							ChEMBL	10.1039/d0md00409j	10.7270/Q2222ZGJ	34046630			Ropponen, HK; Diamanti, E; Siemens, A; Illarionov, B; Haupenthal, J; Fischer, M; Rottmann, M; Witschel, M; Hirsch, AKH	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50562011	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000166&target=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50562011&enzyme=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search			41715670	461832403							1	MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML	1OJ4,2WW4	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	ISPE_ECOLI	P62615	P24209						
51390890	CCCn1c(C)cc(-c2csc(NC(=O)c3ccco3)n2)c1C	InChI=1S/C17H19N3O2S/c1-4-7-20-11(2)9-13(12(20)3)14-10-23-17(18-14)19-16(21)15-6-5-8-22-15/h5-6,8-10H,4,7H2,1-3H3,(H,18,19,21)	YRZIIQCYSUQNAB-UHFFFAOYSA-N	50562012	CHEMBL4749431	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase			 91000							ChEMBL	10.1039/d0md00409j	10.7270/Q2222ZGJ	34046630			Ropponen, HK; Diamanti, E; Siemens, A; Illarionov, B; Haupenthal, J; Fischer, M; Rottmann, M; Witschel, M; Hirsch, AKH	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50562012	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000166&target=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50562012&enzyme=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search			41715421	461832404							1	MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML	1OJ4,2WW4	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	ISPE_ECOLI	P62615	P24209						
51390891	Nc1nc(=O)n(cc1C#CCNS(=O)(=O)C1CC1)C1CCCS1	InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)	DXQFIQXYAWBCLC-UHFFFAOYSA-N	50562013	CHEMBL3359036	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase			 1000							ChEMBL	10.1039/d0md00409j	10.7270/Q2222ZGJ	34046630			Ropponen, HK; Diamanti, E; Siemens, A; Illarionov, B; Haupenthal, J; Fischer, M; Rottmann, M; Witschel, M; Hirsch, AKH	Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50562013	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000166&target=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50562013&enzyme=4-diphosphocytidyl-2-C-methyl-D-erythritol+kinase&column=ki&startPg=0&Increment=50&submit=Search			16733115	461832405							1	MRTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDIRLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPMGGGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAAFAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIETLLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTESEARQVLEQAPEWLNGFVAKGANLSPLHRAML	1OJ4,2WW4	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	ISPE_ECOLI	P62615	P24209