Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'jakobsen' and Initial = 'th'   

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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596272 (CHEMBL5199813) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596278 (CHEMBL5178214) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596263 (CHEMBL5207657) Show SMILES COc1ccc2ncc(F)c(\C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50393503 (CHEMBL2158050) Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596261 (CHEMBL5176134) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596275 (CHEMBL5176348) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596271 (CHEMBL5176046) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596264 (CHEMBL5206355) Show SMILES COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596274 (CHEMBL5204986) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596262 (CHEMBL5176331) Show SMILES COc1ccc2ncc(F)c(\C=C\CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596262 (CHEMBL5176331) Show SMILES COc1ccc2ncc(F)c(\C=C\CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
HTH-type quorum-sensing regulator RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50470115 (CHEMBL4098007) Show SMILES C=CCSSc1nc2ccccc2s1 Show InChI InChI=1S/C10H9NS3/c1-2-7-12-14-10-11-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of quorum sensing regulator protein RhlR in Pseudomonas aeruginosa PAO1 harboring reporter plasmid rhlA-gfp assessed as reduction in rhlA ...				J Med Chem 60: 215-227 (2017) Article DOI: 10.1021/acs.jmedchem.6b01025 BindingDB Entry DOI: 10.7270/Q2125WC6
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596278 (CHEMBL5178214) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596264 (CHEMBL5206355) Show SMILES COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596272 (CHEMBL5199813) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596275 (CHEMBL5176348) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50393503 (CHEMBL2158050) Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50596261 (CHEMBL5176134) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50596278 (CHEMBL5178214) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596261 (CHEMBL5176134) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50393503 (CHEMBL2158050) Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596263 (CHEMBL5207657) Show SMILES COc1ccc2ncc(F)c(\C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596271 (CHEMBL5176046) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50596274 (CHEMBL5204986) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCc4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50596269 (CHEMBL5183842) Show SMILES COC(=O)[C@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
HTH-type quorum-sensing regulator RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50240785 ((E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-pr...) Show SMILES C=CCSS\C=C\CS(=O)CC=C Show InChI InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Technological University Curated by ChEMBL					Assay Description Inhibition of quorum sensing regulator protein RhlR in Pseudomonas aeruginosa PAO1 harboring reporter plasmid rhlA-gfp assessed as reduction in rhlA ...				J Med Chem 60: 215-227 (2017) Article DOI: 10.1021/acs.jmedchem.6b01025 BindingDB Entry DOI: 10.7270/Q2125WC6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50596269 (CHEMBL5183842) Show SMILES COC(=O)[C@H]1CN(CCSc2cccs2)CCN1CCCc1c(F)cnc2ccc(OC)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498101 (CHEMBL3403862) Show SMILES O=Cc1cccc(c1)-n1cc(CCC(=O)N[C@H]2CCOC2=O)nn1 |r| Show InChI InChI=1S/C16H16N4O4/c21-10-11-2-1-3-13(8-11)20-9-12(18-19-20)4-5-15(22)17-14-6-7-24-16(14)23/h1-3,8-10,14H,4-7H2,(H,17,22)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498105 (CHEMBL3403858) Show SMILES CCCCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1 |r| Show InChI InChI=1S/C14H22N4O3/c1-2-3-4-5-6-11-9-18(17-16-11)10-13(19)15-12-7-8-21-14(12)20/h9,12H,2-8,10H2,1H3,(H,15,19)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498098 (CHEMBL3403859) Show SMILES O=C(Cn1cc(nn1)C1CC1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C11H14N4O3/c16-10(12-8-3-4-18-11(8)17)6-15-5-9(13-14-15)7-1-2-7/h5,7-8H,1-4,6H2,(H,12,16)/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498104 (CHEMBL3403865) Show SMILES O=C(Cn1cc(nn1)-c1ccsc1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C12H12N4O3S/c17-11(13-9-1-3-19-12(9)18)6-16-5-10(14-15-16)8-2-4-20-7-8/h2,4-5,7,9H,1,3,6H2,(H,13,17)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498097 (CHEMBL3403860) Show SMILES O=C(Cn1cc(nn1)C1CCCC1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C13H18N4O3/c18-12(14-10-5-6-20-13(10)19)8-17-7-11(15-16-17)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,18)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498102 (CHEMBL3403856) Show SMILES CCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1 |r| Show InChI InChI=1S/C11H16N4O3/c1-2-3-8-6-15(14-13-8)7-10(16)12-9-4-5-18-11(9)17/h6,9H,2-5,7H2,1H3,(H,12,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498100 (CHEMBL3403864) Show SMILES O=C(Cn1cc(CSc2ccccc2)nn1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C15H16N4O3S/c20-14(16-13-6-7-22-15(13)21)9-19-8-11(17-18-19)10-23-12-4-2-1-3-5-12/h1-5,8,13H,6-7,9-10H2,(H,16,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498103 (CHEMBL3403861) Show SMILES O=C(Cn1cc(nn1)C1CCCCC1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C14H20N4O3/c19-13(15-11-6-7-21-14(11)20)9-18-8-12(16-17-18)10-4-2-1-3-5-10/h8,10-11H,1-7,9H2,(H,15,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Elastase (Pseudomonas aeruginosa)	BDBM50498099 (CHEMBL3403868) Show SMILES [N-]=[N+]=Nc1ccc(cc1)C(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C11H10N4O3/c12-15-14-8-3-1-7(2-4-8)10(16)13-9-5-6-18-11(9)17/h1-4,9H,5-6H2,(H,13,16)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Denmark Curated by ChEMBL					Assay Description Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...				Bioorg Med Chem 23: 1638-50 (2015) Article DOI: 10.1016/j.bmc.2015.01.038 BindingDB Entry DOI: 10.7270/Q2F192P6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50393503 (CHEMBL2158050) Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596260 (CHEMBL5183506) Show SMILES COc1ccc2ncc(F)c(C(O)CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596261 (CHEMBL5176134) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596262 (CHEMBL5176331) Show SMILES COc1ccc2ncc(F)c(\C=C\CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596263 (CHEMBL5207657) Show SMILES COc1ccc2ncc(F)c(\C=C/CN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596264 (CHEMBL5206355) Show SMILES COc1ccc2ncc(F)c(C#CCN3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596265 (CHEMBL5178897) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596266 (CHEMBL5205450) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)[C@H](C3)C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596267 (CHEMBL5172698) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(CCSc4cccs4)C[C@@H]3C(N)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596278 (CHEMBL5178214) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4cc(F)ccc4F)C[C@@H]3C(O)=O)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50596277 (CHEMBL5198009) Show SMILES COc1ccc2ncc(F)c(CCCN3CCN(C[C@@H]3C(O)=O)C(=O)CSc3ccccc3)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128499 BindingDB Entry DOI: 10.7270/Q2X06C35
					More data for this Ligand-Target Pair

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