Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Sensor protein kinase WalK'   

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
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM50368125 (ADENOSINE DIPHOSPHATE | ADP) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					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
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
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
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM15759 (4,7 Diazaindole 22 | 4-[7-(4-fluorophenyl)-5H-pyrr...) Show SMILES Fc1ccc(cc1)-c1c([nH]c2nccnc12)-c1ccncc1 Show InChI InChI=1S/C17H11FN4/c18-13-3-1-11(2-4-13)14-15(12-5-7-19-8-6-12)22-17-16(14)20-9-10-21-17/h1-10H,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM27434 (11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0....) Show SMILES Cc1cc(C)c2c(n1)sc1c(N)ncnc21 Show InChI InChI=1S/C11H10N4S/c1-5-3-6(2)15-11-7(5)8-9(16-11)10(12)14-4-13-8/h3-4H,1-2H3,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					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
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM18134 (({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					More data for this Ligand-Target Pair
Sensor protein kinase WalK (Staphylococcus aureus)	BDBM153747 (ROCHE screening, 65) Show SMILES CONC1=NC(=O)\C(S1)=C\c1ccc2ncccc2c1 |t:3| Show InChI InChI=1S/C14H11N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-8H,1H3,(H,16,17,18)/b12-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.83E+8	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...				Bioorg Med Chem 26: 5322-5326 (2018) Article DOI: 10.1016/j.bmc.2018.04.047 BindingDB Entry DOI: 10.7270/Q2R2143H
					More data for this Ligand-Target Pair