Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'baker' and Initial = 'sj'   

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
Beta-lactamase (Enterobacter cloacae)	BDBM50339869 (5-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12 Show InChI InChI=1S/C12H9BN2O5/c16-12(17)10-4-15-11(5-14-10)20-8-2-1-7-6-19-13(18)9(7)3-8/h1-5,18H,6H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339868 (4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C14H11BO5/c16-14(17)9-1-4-11(5-2-9)20-12-6-3-10-8-19-15(18)13(10)7-12/h1-7,18H,8H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339870 (2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12 Show InChI InChI=1S/C12H9BN2O5/c16-11(17)8-4-14-12(15-5-8)20-9-2-1-7-6-19-13(18)10(7)3-9/h1-5,18H,6H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	580	-35.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Piramed Pharma					Assay Description Mammalian target of rapamycin (mTOR) was assayed by monitoring phosphorylation of GFP-4EBP using a homogeneous time-resolved fluorescence resonance e...				J Med Chem 51: 5522-32 (2008) Article DOI: 10.1021/jm800295d BindingDB Entry DOI: 10.7270/Q2222S23
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339846 (6-phenoxybenzo[c][1,2]oxaborol-1(3H)-ol | CHEMBL17...) Show SMILES OB1OCc2ccc(Oc3ccccc3)cc12 Show InChI InChI=1S/C13H11BO3/c15-14-13-8-12(7-6-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8,15H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339856 (6-(3-methoxyphenoxy)benzo[c][1,2]oxaborol-1(3H)-ol...) Show SMILES COc1cccc(Oc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C14H13BO4/c1-17-11-3-2-4-12(7-11)19-13-6-5-10-9-18-15(16)14(10)8-13/h2-8,16H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339862 (3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3cccc(c3)C(O)=O)cc12 Show InChI InChI=1S/C14H11BO5/c16-14(17)9-2-1-3-11(6-9)20-12-5-4-10-8-19-15(18)13(10)7-12/h1-7,18H,8H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Saccharomyces cerevisiae S288c)	BDBM50370987 (TAVABOROLE) Show SMILES OB1OCc2cc(F)ccc12 Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins				Science 316: 1759-1761 (2007) Article DOI: 10.1126/science.1142189 BindingDB Entry DOI: 10.7270/Q2P84CQ2
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339860 (6-(3-(benzyloxy)phenoxy)benzo[c][1,2]oxaborol-1(3H...) Show SMILES OB1OCc2ccc(Oc3cccc(OCc4ccccc4)c3)cc12 Show InChI InChI=1S/C20H17BO4/c22-21-20-12-19(10-9-16(20)14-24-21)25-18-8-4-7-17(11-18)23-13-15-5-2-1-3-6-15/h1-12,22H,13-14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339857 (6-(3-aminophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol |...) Show SMILES Nc1cccc(Oc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C13H12BNO3/c15-10-2-1-3-11(6-10)18-12-5-4-9-8-17-14(16)13(9)7-12/h1-7,16H,8,15H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339859 (6-(3-(aminomethyl)phenoxy)benzo[c][1,2]oxaborol-1(...) Show SMILES NCc1cccc(Oc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C14H14BNO3/c16-8-10-2-1-3-12(6-10)19-13-5-4-11-9-18-15(17)14(11)7-13/h1-7,17H,8-9,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339855 (6-(phenylamino)benzo[c][1,2]oxaborol-1(3H)-ol | CH...) Show SMILES OB1OCc2ccc(Nc3ccccc3)cc12 Show InChI InChI=1S/C13H12BNO2/c16-14-13-8-12(7-6-10(13)9-17-14)15-11-4-2-1-3-5-11/h1-8,15-16H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339867 (CHEMBL1761273 | ethyl 4-(1-hydroxy-1,3-dihydrobenz...) Show SMILES CCOC(=O)c1ccc(Oc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C16H15BO5/c1-2-20-16(18)11-3-6-13(7-4-11)22-14-8-5-12-10-21-17(19)15(12)9-14/h3-9,19H,2,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339863 (6-(4-methoxyphenoxy)benzo[c][1,2]oxaborol-1(3H)-ol...) Show SMILES COc1ccc(Oc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C14H13BO4/c1-17-11-4-6-12(7-5-11)19-13-3-2-10-9-18-15(16)14(10)8-13/h2-8,16H,9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339850 (6-(hydroxy(phenyl)methyl)benzo[c][1,2]oxaborol-1(3...) Show SMILES OB1OCc2ccc(cc12)C(O)c1ccccc1 Show InChI InChI=1S/C14H13BO3/c16-14(10-4-2-1-3-5-10)11-6-7-12-9-18-15(17)13(12)8-11/h1-8,14,16-17H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339861 (6-(3-((dimethylamino)methyl)phenoxy)benzo[c][1,2]o...) Show SMILES CN(C)Cc1cccc(Oc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C16H18BNO3/c1-18(2)10-12-4-3-5-14(8-12)21-15-7-6-13-11-20-17(19)16(13)9-15/h3-9,19H,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339858 (6-(3-(hydroxymethyl)phenoxy)benzo[c][1,2]oxaborol-...) Show SMILES OCc1cccc(Oc2ccc3COB(O)c3c2)c1 Show InChI InChI=1S/C14H13BO4/c16-8-10-2-1-3-12(6-10)19-13-5-4-11-9-18-15(17)14(11)7-13/h1-7,16-17H,8-9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339864 (6-(4-aminophenoxy)benzo[c][1,2]oxaborol-1(3H)-ol |...) Show SMILES Nc1ccc(Oc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C13H12BNO3/c15-10-2-5-11(6-3-10)18-12-4-1-9-8-17-14(16)13(9)7-12/h1-7,16H,8,15H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339847 (6-(phenylthio)benzo[c][1,2]oxaborol-1(3H)-ol | CHE...) Show SMILES OB1OCc2ccc(Sc3ccccc3)cc12 Show InChI InChI=1S/C13H11BO2S/c15-14-13-8-12(7-6-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8,15H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339865 (6-(4-(aminomethyl)phenoxy)benzo[c][1,2]oxaborol-1(...) Show SMILES NCc1ccc(Oc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C14H14BNO3/c16-8-10-1-4-12(5-2-10)19-13-6-3-11-9-18-15(17)14(11)7-13/h1-7,17H,8-9,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339854 (6-((phenylaminooxy)carbonyl)benzo[c][1,2]oxaborol-...) Show SMILES OB1OCc2ccc(cc12)C(=O)ONc1ccccc1 Show InChI InChI=1S/C14H12BNO4/c17-14(20-16-12-4-2-1-3-5-12)10-6-7-11-9-19-15(18)13(11)8-10/h1-8,16,18H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50089572 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339848 (6-benzylbenzo[c][1,2]oxaborol-1(3H)-ol | CHEMBL176...) Show SMILES OB1OCc2ccc(Cc3ccccc3)cc12 Show InChI InChI=1S/C14H13BO2/c16-15-14-9-12(6-7-13(14)10-17-15)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339849 ((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)(...) Show SMILES OB1OCc2ccc(cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11BO3/c16-14(10-4-2-1-3-5-10)11-6-7-12-9-18-15(17)13(12)8-11/h1-8,17H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Saccharomyces cerevisiae S288c)	BDBM50370987 (TAVABOROLE) Show SMILES OB1OCc2cc(F)ccc12 Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 2 mins				Science 316: 1759-1761 (2007) Article DOI: 10.1126/science.1142189 BindingDB Entry DOI: 10.7270/Q2P84CQ2
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089585 (2,6-Diamino-5-[2-(4,5-difluoro-2-nitro-phenylamino...) Show SMILES Nc1nc(N)c(CCNc2cc(F)c(F)cc2[N+]([O-])=O)c(=O)[nH]1 Show InChI InChI=1S/C12H12F2N6O3/c13-6-3-8(9(20(22)23)4-7(6)14)17-2-1-5-10(15)18-12(16)19-11(5)21/h3-4,17H,1-2H2,(H5,15,16,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase) after 3 min at 250 uM				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339866 (6-(4-((dimethylamino)methyl)phenoxy)benzo[c][1,2]o...) Show SMILES CN(C)Cc1ccc(Oc2ccc3COB(O)c3c2)cc1 Show InChI InChI=1S/C16H18BNO3/c1-18(2)10-12-3-6-14(7-4-12)21-15-8-5-13-11-20-17(19)16(13)9-15/h3-9,19H,10-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089594 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(c(F)c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-12-16(2-9-23(20)35(42)43)14-34(13-15-1-7-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)8-10-24(36)37/h1-7,9,11-12,22H,8,10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339853 (CHEMBL1761258 | N-(1-hydroxy-1,3-dihydrobenzo[c][1...) Show SMILES OB1OCc2ccc(NC(=O)c3ccccc3)cc12 Show InChI InChI=1S/C14H12BNO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h1-8,18H,9H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50089594 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(c(F)c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-12-16(2-9-23(20)35(42)43)14-34(13-15-1-7-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)8-10-24(36)37/h1-7,9,11-12,22H,8,10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339851 (6-(phenylsulfinyl)benzo[c][1,2]oxaborol-1(3H)-ol |...) Show SMILES OB1OCc2ccc(cc12)S(=O)c1ccccc1 Show InChI InChI=1S/C13H11BO3S/c15-14-13-8-12(7-6-10(13)9-17-14)18(16)11-4-2-1-3-5-11/h1-8,15H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339852 (6-(phenylsulfonyl)benzo[c][1,2]oxaborol-1(3H)-ol |...) Show SMILES OB1OCc2ccc(cc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H11BO4S/c15-14-13-8-12(7-6-10(13)9-18-14)19(16,17)11-4-2-1-3-5-11/h1-8,15H,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50089572 (2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...) Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)				Bioorg Med Chem Lett 10: 1471-5 (2000) BindingDB Entry DOI: 10.7270/Q2GM86HD
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101068 (4-Chloro-10,10-dioxo-9,10-dihydro-10lambda*6*-thio...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O7S/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)16(37-24)10-28-23(33)18-13-6-3-4-9-17(13)38(35,36)21-14(18)7-5-8-15(21)26/h3-9,11,16,18-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t16-,18?,19+,20-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101051 (4,5-Dichloro-9H-xanthene-9-carboxylic acid [(2R,3R...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(Cl)c4Oc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H22Cl2FN3O6/c1-2-11-10-31(25(35)30-22(11)33)24-18(28)19(32)16(36-24)9-29-23(34)17-12-5-3-7-14(26)20(12)37-21-13(17)6-4-8-15(21)27/h3-8,10,16-19,24,32H,2,9H2,1H3,(H,29,34)(H,30,33,35)/t16-,18+,19-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101050 (10,10-Dioxo-9,10-dihydro-10lambda*6*-thioxanthene-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H24FN3O7S/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)16(36-24)11-27-23(32)19-14-7-3-5-9-17(14)37(34,35)18-10-6-4-8-15(18)19/h3-10,12,16,19-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t16-,20+,21-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101069 (10,10-Bis-trifluoromethyl-9,10-dihydro-anthracene-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(c4ccccc34)(C(F)(F)F)C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C28H24F7N3O5/c1-2-13-12-38(25(42)37-22(13)40)24-20(29)21(39)18(43-24)11-36-23(41)19-14-7-3-5-9-16(14)26(27(30,31)32,28(33,34)35)17-10-6-4-8-15(17)19/h3-10,12,18-21,24,39H,2,11H2,1H3,(H,36,41)(H,37,40,42)/t18-,20+,21-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101045 (9H-Xanthene-9-carboxylic acid [(2R,3R,4S,5R)-5-(5-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H24FN3O6/c1-2-13-12-29(25(33)28-22(13)31)24-20(26)21(30)18(35-24)11-27-23(32)19-14-7-3-5-9-16(14)34-17-10-6-4-8-15(17)19/h3-10,12,18-21,24,30H,2,11H2,1H3,(H,27,32)(H,28,31,33)/t18-,20+,21-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101071 (10,10-Dioxo-9,10-dihydro-10lambda*6*-thioxanthene-...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O7S/c1-2-14-13-28(25(32)27-23(14)30)21-11-17(29)18(35-21)12-26-24(31)22-15-7-3-5-9-19(15)36(33,34)20-10-6-4-8-16(20)22/h3-10,13,17-18,21-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t17-,18+,21+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101053 (9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-eth...) Show SMILES CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N3O6/c1-2-14-13-28(25(32)27-23(14)30)21-11-17(29)20(34-21)12-26-24(31)22-15-7-3-5-9-18(15)33-19-10-6-4-8-16(19)22/h3-10,13,17,20-22,29H,2,11-12H2,1H3,(H,26,31)(H,27,30,32)/t17-,20+,21+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101058 (4-Phenyl-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4-c3ccccc3)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C31H28FN3O6/c1-2-17-16-35(31(39)34-28(17)37)30-25(32)26(36)23(41-30)15-33-29(38)24-20-11-6-7-14-22(20)40-27-19(12-8-13-21(24)27)18-9-4-3-5-10-18/h3-14,16,23-26,30,36H,2,15H2,1H3,(H,33,38)(H,34,37,39)/t23-,24?,25+,26-,30-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101060 (4-Trifluoromethyl-9H-xanthene-9-carboxylic acid [(...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H23F4N3O6/c1-2-12-11-33(25(37)32-22(12)35)24-19(27)20(34)17(39-24)10-31-23(36)18-13-6-3-4-9-16(13)38-21-14(18)7-5-8-15(21)26(28,29)30/h3-9,11,17-20,24,34H,2,10H2,1H3,(H,31,36)(H,32,35,37)/t17-,18?,19+,20-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101048 (4-Chloro-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O6/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)17(36-24)10-28-23(33)18-13-6-3-4-9-16(13)35-21-14(18)7-5-8-15(21)26/h3-9,11,17-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t17-,18?,19+,20-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101069 (10,10-Bis-trifluoromethyl-9,10-dihydro-anthracene-...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(c4ccccc34)(C(F)(F)F)C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C28H24F7N3O5/c1-2-13-12-38(25(42)37-22(13)40)24-20(29)21(39)18(43-24)11-36-23(41)19-14-7-3-5-9-16(14)26(27(30,31)32,28(33,34)35)17-10-6-4-8-15(17)19/h3-10,12,18-21,24,39H,2,11H2,1H3,(H,36,41)(H,37,40,42)/t18-,20+,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101047 (4-Methyl-9H-xanthene-9-carboxylic acid [(2R,3R,4S,...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(C)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H26FN3O6/c1-3-14-12-30(26(34)29-23(14)32)25-20(27)21(31)18(36-25)11-28-24(33)19-15-8-4-5-10-17(15)35-22-13(2)7-6-9-16(19)22/h4-10,12,18-21,25,31H,3,11H2,1-2H3,(H,28,33)(H,29,32,34)/t18-,19?,20+,21-,25-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101067 ((S)-2-(2,4-Dichloro-5-methoxy-phenoxy)-N-[(2R,3R,4...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H](C)Oc3cc(OC)c(Cl)cc3Cl)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C21H24Cl2FN3O7/c1-4-10-8-27(21(31)26-19(10)30)20-16(24)17(28)15(34-20)7-25-18(29)9(2)33-14-6-13(32-3)11(22)5-12(14)23/h5-6,8-9,15-17,20,28H,4,7H2,1-3H3,(H,25,29)(H,26,30,31)/t9-,15+,16-,17+,20+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101074 (4-Methoxy-9H-xanthene-9-carboxylic acid [(2R,3R,4S...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4c(OC)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C26H26FN3O7/c1-3-13-12-30(26(34)29-23(13)32)25-20(27)21(31)18(37-25)11-28-24(33)19-14-7-4-5-9-16(14)36-22-15(19)8-6-10-17(22)35-2/h4-10,12,18-21,25,31H,3,11H2,1-2H3,(H,28,33)(H,29,32,34)/t18-,19?,20+,21-,25-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101062 (4-Chloro-9H-thioxanthene-9-carboxylic acid [(2R,3R...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O5S/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)16(35-24)10-28-23(33)18-13-6-3-4-9-17(13)36-21-14(18)7-5-8-15(21)26/h3-9,11,16,18-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t16-,18?,19+,20-,24-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50101068 (4-Chloro-10,10-dioxo-9,10-dihydro-10lambda*6*-thio...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4c(Cl)cccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C25H23ClFN3O7S/c1-2-12-11-30(25(34)29-22(12)32)24-19(27)20(31)16(37-24)10-28-23(33)18-13-6-3-4-9-17(13)38(35,36)21-14(18)7-5-8-15(21)26/h3-9,11,16,18-20,24,31H,2,10H2,1H3,(H,28,33)(H,29,32,34)/t16-,18?,19+,20-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50101049 (10,10-Dimethyl-9,10-dihydro-anthracene-9-carboxyli...) Show SMILES CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(C)(C)c4ccccc34)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Show InChI InChI=1S/C28H30FN3O5/c1-4-15-14-32(27(36)31-24(15)34)26-22(29)23(33)20(37-26)13-30-25(35)21-16-9-5-7-11-18(16)28(2,3)19-12-8-6-10-17(19)21/h5-12,14,20-23,26,33H,4,13H2,1-3H3,(H,30,35)(H,31,34,36)/t20-,22+,23-,26-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)				Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6
					More data for this Ligand-Target Pair

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