Compile Data Set for Download or QSAR

Found 317 hits Enz. Inhib. hit(s) with all data for entry = 3909   

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
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38549 (2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...) Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34336 (2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...) Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38667 ((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...) Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1 Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38361 (2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...) Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM29632 (2-[2-(3-keto-1,2-benzothiazol-2-yl)thiazol-4-yl]ac...) Show SMILES CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O Show InChI InChI=1S/C14H12N2O3S2/c1-2-19-12(17)7-9-8-20-14(15-9)16-13(18)10-5-3-4-6-11(10)21-16/h3-6,8H,2,7H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38573 (9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihy...) Show SMILES COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC Show InChI InChI=1S/C20H20N4O3/c1-26-17-9-13-6-8-24-16(15(13)10-18(17)27-2)11-19(23-20(24)25)22-12-14-5-3-4-7-21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34340 (2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...) Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38601 (7-(3,4-dimethylanilino)-6-(2-methylphenyl)-7H-pyrr...) Show SMILES Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)| Show InChI InChI=1S/C22H21N3O/c1-14-10-11-17(13-16(14)3)24-21-20-18(8-6-12-23-20)22(26)25(21)19-9-5-4-7-15(19)2/h4-13,23-24H,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38612 (7-(5-chloro-2-methoxy-anilino)-6-p-anisyl-7H-pyrro...) Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1 Show InChI InChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,24-25H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34334 (MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...) Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1 Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34595 (4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...) Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10| Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34579 (4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...) Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1 Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34471 (4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2...) Show SMILES COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1cccc(O)c1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.94,2.97,;12.4,2.49,;12.72,.99,;11.58,-.04,;11.9,-1.55,;10.11,.43,)| Show InChI InChI=1S/C16H15N3O3S/c1-21-12-6-7-14(22-2)13(9-12)19-15(17-18-16(19)23)10-4-3-5-11(20)8-10/h3-9,20H,1-2H3,(H,18,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34352 (2-(morpholin-4-ylthio)-1H-benzimidazole | 4-(1H-be...) Show SMILES C1CN(CCO1)Sc1nc2ccccc2[nH]1 Show InChI InChI=1S/C11H13N3OS/c1-2-4-10-9(3-1)12-11(13-10)16-14-5-7-15-8-6-14/h1-4H,5-8H2,(H,12,13)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38597 (7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...) Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38595 (2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38588 (1-(5-esyl-2-hydroxy-phenyl)-3-phenyl-urea | 1-(5-e...) Show SMILES CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38607 (4-[(6-benzyl-5-keto-7H-pyrrolo[3,4-b]pyridin-7-yl)...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Nc2n(Cc3ccccc3)c(=O)c3ccc[nH]c23)cc1 Show InChI InChI=1S/C24H26N4O3S/c1-3-27(4-2)32(30,31)20-14-12-19(13-15-20)26-23-22-21(11-8-16-25-22)24(29)28(23)17-18-9-6-5-7-10-18/h5-16,25-26H,3-4,17H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34548 (4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...) Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38606 (7-(3,5-dimethoxyanilino)-6-(2-furanylmethyl)-7H-py...) Show SMILES COc1cc(Nc2n(Cc3ccco3)c(=O)c3ccc[nH]c23)cc(OC)c1 Show InChI InChI=1S/C20H19N3O4/c1-25-15-9-13(10-16(11-15)26-2)22-19-18-17(6-3-7-21-18)20(24)23(19)12-14-5-4-8-27-14/h3-11,21-22H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM34324 (5-(2,3-dimethylanilino)-3H-1,3,4-thiadiazole-2-thi...) Show SMILES Cc1cccc(Nc2nnc(S)s2)c1C Show InChI InChI=1S/C10H11N3S2/c1-6-4-3-5-8(7(6)2)11-9-12-13-10(14)15-9/h3-5H,1-2H3,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38574 (3-(4-methylphenyl)-6-oxidanylidene-8-(2,4,5-trimet...) Show SMILES COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)cc1 |c:23| Show InChI InChI=1S/C24H25N3O4S/c1-15-5-7-16(8-6-15)26-13-27-23(28)10-17(19(12-25)24(27)32-14-26)18-9-21(30-3)22(31-4)11-20(18)29-2/h5-9,11,17H,10,13-14H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38609 (2-phenyl-5-propan-2-yl-1H-1,2,4-triazole-3-thione ...) Show SMILES CC(C)c1nn(-c2ccccc2)c(=S)[nH]1 Show InChI InChI=1S/C11H13N3S/c1-8(2)10-12-11(15)14(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38613 (6-(methoxymethyl)-4-methyl-2-sulfanylidene-1H-pyri...) Show SMILES COCc1cc(C)c(C#N)c(=S)[nH]1 Show InChI InChI=1S/C9H10N2OS/c1-6-3-7(5-12-2)11-9(13)8(6)4-10/h3H,5H2,1-2H3,(H,11,13)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38740 ((3,4,5-trimethoxyphenyl)-(4-veratrylpiperazino)met...) Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C23H30N2O6/c1-27-18-7-6-16(12-19(18)28-2)15-24-8-10-25(11-9-24)23(26)17-13-20(29-3)22(31-5)21(14-17)30-4/h6-7,12-14H,8-11,15H2,1-5H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38563 ((3,5-dimethoxyphenyl)-[4-(4-phenyl-1-piperazinyl)-...) Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c1-29-22-16-19(17-23(18-22)30-2)24(28)27-10-8-21(9-11-27)26-14-12-25(13-15-26)20-6-4-3-5-7-20/h3-7,16-18,21H,8-15H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38589 (5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]t...) Show SMILES Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12 Show InChI InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM37977 (2-(1-azepanyl)-N-(4-methyl-2-thiazolyl)acetamide;o...) Show SMILES Cc1csc(NC(=O)CN2CCCCCC2)n1 Show InChI InChI=1S/C12H19N3OS/c1-10-9-17-12(13-10)14-11(16)8-15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38608 (6-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]t...) Show SMILES Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1 Show InChI InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-14-10(15)12-13-11(14)16-9/h2-6H,1H3,(H,12,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38591 (1-[(2-methoxyphenyl)methoxy]-3-[(1-piperidin-1-ylc...) Show SMILES COc1ccccc1COCC(O)CNCC1(CCCCC1)N1CCCCC1 Show InChI InChI=1S/C23H38N2O3/c1-27-22-11-5-4-10-20(22)17-28-18-21(26)16-24-19-23(12-6-2-7-13-23)25-14-8-3-9-15-25/h4-5,10-11,21,24,26H,2-3,6-9,12-19H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38630 (2-[1H-indol-3-ylmethyl(methyl)amino]acetic acid et...) Show SMILES CCOC(=O)CN(C)Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C14H18N2O2/c1-3-18-14(17)10-16(2)9-11-8-15-13-7-5-4-6-12(11)13/h4-8,15H,3,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38627 ((4Z)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-...) Show SMILES O=C(C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccncc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H23N3O6/c27-21(16-1-2-17-18(13-16)32-14-31-17)19-20(15-3-5-24-6-4-15)26(23(29)22(19)28)8-7-25-9-11-30-12-10-25/h1-6,13,19-20H,7-12,14H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38728 ((3-fluorophenyl)-[4-(2-furanylmethyl)-1-piperaziny...) Show SMILES Fc1cccc(c1)C(=O)N1CCN(Cc2ccco2)CC1 Show InChI InChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)16(20)19-8-6-18(7-9-19)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38535 (4-[2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)...) Show SMILES Cc1nnc(SCCN2CCOCC2)n1C Show InChI InChI=1S/C10H18N4OS/c1-9-11-12-10(13(9)2)16-8-5-14-3-6-15-7-4-14/h3-8H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38528 (2-(4-cyclohexyl-1-piperazinyl)-N-(2-phenylphenyl)a...) Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C24H31N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38738 (1-[4-(2-allylphenoxy)butyl]pyrrolidine | 1-[4-(2-p...) Show SMILES C=CCc1ccccc1OCCCCN1CCCC1 Show InChI InChI=1S/C17H25NO/c1-2-9-16-10-3-4-11-17(16)19-15-8-7-14-18-12-5-6-13-18/h2-4,10-11H,1,5-9,12-15H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38768 (1-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethoxy]ethyl]...) Show SMILES Cc1ccc(OCCOCCn2ccnc2)c(Br)c1 Show InChI InChI=1S/C14H17BrN2O2/c1-12-2-3-14(13(15)10-12)19-9-8-18-7-6-17-5-4-16-11-17/h2-5,10-11H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38746 (1-[4-(2,4-dimethoxybenzyl)piperazino]-2-phenyl-eth...) Show SMILES COc1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2)c(OC)c1 Show InChI InChI=1S/C21H26N2O3/c1-25-19-9-8-18(20(15-19)26-2)16-22-10-12-23(13-11-22)21(24)14-17-6-4-3-5-7-17/h3-9,15H,10-14,16H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38599 (MLS000047955 | N-methyl-2-(2-pyridinyl)-N-[(2,4,5-...) Show SMILES COc1cc(OC)c(OC)cc1CN(C)CCc1ccccn1 Show InChI InChI=1S/C18H24N2O3/c1-20(10-8-15-7-5-6-9-19-15)13-14-11-17(22-3)18(23-4)12-16(14)21-2/h5-7,9,11-12H,8,10,13H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38566 ((3,4-dimethoxyphenyl)-[4-(4-phenyl-1-piperazinyl)-...) Show SMILES COc1ccc(cc1OC)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C24H31N3O3/c1-29-22-9-8-19(18-23(22)30-2)24(28)27-12-10-21(11-13-27)26-16-14-25(15-17-26)20-6-4-3-5-7-20/h3-9,18,21H,10-17H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38590 (2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-1-phen...) Show SMILES Cc1cc(C)n(CCCNCC(O)c2ccccc2)n1 Show InChI InChI=1S/C16H23N3O/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38598 (MLS000047956 | N-methyl-2-(2-pyridinyl)-N-[(3,4,5-...) Show SMILES COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC Show InChI InChI=1S/C18H24N2O3/c1-20(10-8-15-7-5-6-9-19-15)13-14-11-16(21-2)18(23-4)17(12-14)22-3/h5-7,9,11-12H,8,10,13H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38709 (2-[4-(4-phenylbenzyl)piperazino]pyrimidine | 2-[4-...) Show SMILES C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H22N4/c1-2-5-19(6-3-1)20-9-7-18(8-10-20)17-24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-17H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38778 (4-(3,5-dimethoxybenzyl)-2,6-dimethyl-morpholine | ...) Show SMILES COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1 Show InChI InChI=1S/C15H23NO3/c1-11-8-16(9-12(2)19-11)10-13-5-14(17-3)7-15(6-13)18-4/h5-7,11-12H,8-10H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38537 (MLS000068955 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cy...) Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20| Show InChI InChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38688 (4-[3-(2-bromanylphenoxy)propyl]morpholine | 4-[3-(...) Show SMILES Brc1ccccc1OCCCN1CCOCC1 Show InChI InChI=1S/C13H18BrNO2/c14-12-4-1-2-5-13(12)17-9-3-6-15-7-10-16-11-8-15/h1-2,4-5H,3,6-11H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38575 (6-oxidanylidene-3-phenyl-8-(2,4,5-trimethoxyphenyl...) Show SMILES COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:23| Show InChI InChI=1S/C23H23N3O4S/c1-28-19-11-21(30-3)20(29-2)9-17(19)16-10-22(27)26-13-25(15-7-5-4-6-8-15)14-31-23(26)18(16)12-24/h4-9,11,16H,10,13-14H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair

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