Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'jackvony' and Initial = 'tn'   

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
Histidine kinase (Caulobacter vibrioides)	BDBM50453878 (CHEMBL371380) Show SMILES COc1ccc(cc1)-c1c(C)n[nH]c1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Competitive inhibition of Caulobacter vibrioides full length wild type cell cycle histidine kinase CckA deltaTM Escherichia coli BL21-AI in presence ...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM20926 (5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM15364 (4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5...) Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(10-2-3-15-16(6-10)25-5-4-24-15)18(21-20-9)11-7-12(19)14(23)8-13(11)22/h2-3,6-8,22-23H,4-5H2,1H3,(H,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453878 (CHEMBL371380) Show SMILES COc1ccc(cc1)-c1c(C)n[nH]c1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Phosphate regulon sensor protein PhoR (Escherichia coli (strain K12))	BDBM50453879 (CHEMBL4202687) Show SMILES CCC(C(CC)c1ccc(F)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHp-catalytic domain PhoR autophosphorylation expressed in Escherichia coli RIL in presence of gamma-32P-ATP by SDS-PA...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50409992 (CHEMBL364882) Show SMILES Cc1[nH]nc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453882 (CHEMBL4218027) Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)cc1O Show InChI InChI=1S/C19H20N2O3/c1-4-12-9-15(17(23)10-16(12)22)19-18(11(2)20-21-19)13-5-7-14(24-3)8-6-13/h5-10,22-23H,4H2,1-3H3,(H,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus epidermidis (strain ATCC 35984 / RP...)	BDBM50453880 (CHEMBL3343945) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=c2/sc3=NC(=CC(c4ccc(F)cc4)n3c2=O)c2ccccc2)o1 |c:19,t:17| Show InChI InChI=1S/C30H19FN2O4S/c31-22-11-9-19(10-12-22)25-17-24(18-5-2-1-3-6-18)32-30-33(25)28(34)27(38-30)16-23-13-14-26(37-23)20-7-4-8-21(15-20)29(35)36/h1-17,25H,(H,35,36)/b27-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Staphylococcus epidermidis ATCC 35984 N-terminal GB1-tagged YycG expressed in Escherichia coli BL21 (DE3) preincubated for ...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus epidermidis (strain ATCC 35984 / RP...)	BDBM50453886 (CHEMBL4215525) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccc(F)cc2)s1 Show InChI InChI=1S/C27H17FN2O3S2/c28-19-10-12-21(13-11-19)30-25(31)24(35-27(30)29-20-4-2-1-3-5-20)16-22-14-15-23(34-22)17-6-8-18(9-7-17)26(32)33/h1-16H,(H,32,33)/b24-16-,29-27-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Staphylococcus epidermidis ATCC 35984 N-terminal GB1-tagged YycG expressed in Escherichia coli BL21 (DE3) preincubated for ...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453881 (CCT018159 | CHEBI:41656 | CHEMBL399530) Show SMILES CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50409996 (CHEMBL191228) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H13ClN2O4/c18-12-6-10(13(21)7-14(12)22)17-11(8-19-20-17)9-1-2-15-16(5-9)24-4-3-23-15/h1-2,5-8,21-22H,3-4H2,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453884 (CHEMBL4217100) Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H13ClN2O3/c1-22-10-4-2-9(3-5-10)12-8-18-19-16(12)11-6-13(17)15(21)7-14(11)20/h2-8,20-21H,1H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453883 (CHEMBL4204469) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C15H11ClN2O2/c16-12-6-10(13(19)7-14(12)20)15-11(8-17-18-15)9-4-2-1-3-5-9/h1-8,19-20H,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM15365 (3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-meth...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM50453887 (CHEMBL1551662) Show SMILES COc1ccc(cc1)-c1c[nH]nc1-c1ccc(O)cc1O Show InChI InChI=1S/C16H14N2O3/c1-21-12-5-2-10(3-6-12)14-9-17-18-16(14)13-7-4-11(19)8-15(13)20/h2-9,19-20H,1H3,(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Streptococcus pneumoniae PCS8203)	BDBM50453885 (CHEMBL4209595) Show SMILES Nc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1 Show InChI InChI=1S/C14H10N4OS2/c15-13-17-9-3-1-7(5-11(9)20-13)19-8-2-4-10-12(6-8)21-14(16)18-10/h1-6H,(H2,15,17)(H2,16,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK preincubated for 30 mins followed by [gamma-33P]ATP addition after 30 mins by SDS-PAGE method				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Chemotaxis protein CheA (Escherichia coli (strain K12))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of Escherichia coli CheA preincubated for 30 mins followed by [gamma-33P]ATP addition after 30 mins by SDS-PAGE method				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Caulobacter vibrioides)	BDBM227589 (Radicicol) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus aureus subsp. aureus CN1)	BDBM50453879 (CHEMBL4202687) Show SMILES CCC(C(CC)c1ccc(F)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DHp-catalytic domain PhoR autophosphorylation expressed in Escherichia coli RIL in presence of gamma-32P-ATP by S...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Histidine kinase (Streptococcus pneumoniae PCS8203)	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK preincubated for 30 mins followed by [gamma-33P]ATP addition after 30 mins by SDS-PAGE method				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM50453878 (CHEMBL371380) Show SMILES COc1ccc(cc1)-c1c(C)n[nH]c1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM50453881 (CCT018159 | CHEBI:41656 | CHEMBL399530) Show SMILES CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM15364 (4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5...) Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(10-2-3-15-16(6-10)25-5-4-24-15)18(21-20-9)11-7-12(19)14(23)8-13(11)22/h2-3,6-8,22-23H,4-5H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expr...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM50453877 (CHEMBL4209514) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(Cl)c(=O)c2c1-[#8] Show InChI InChI=1S/C14H13ClO4/c1-7(2)3-4-8-10(16)5-11-12(13(8)17)14(18)9(15)6-19-11/h3,5-6,16-17H,4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.91E+5	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Displacement of TNP-ATP from recombinant Salmonella typhimurium GST-tagged DHp-catalytic domain PhoQ (332 to 487 residues) expressed in Escherichia c...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair
Virulence sensor histidine kinase PhoQ (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM227589 (Radicicol) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	7.15E+5	n/a	n/a	n/a	n/a	n/a
Williams College Curated by ChEMBL					Assay Description Binding affinity to recombinant Salmonella typhimurium 15N-labeled PhoQ catalytic domain (332 to 487 residues) expressed in Escherichia coli XA90 ass...				Bioorg Med Chem Lett 27: 5235-5244 (2017) Article DOI: 10.1016/j.bmcl.2017.10.036 BindingDB Entry DOI: 10.7270/Q20G3NQV
					More data for this Ligand-Target Pair				3D Structure (crystal)