Compile Data Set for Download or QSAR

Found 31 hits of affinity data for UniProtKB/TrEMBL: A0A072ZLE6   

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
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512171 (CHEMBL4513689) Show SMILES CCCCCCCCCc1nc2cc(F)c(F)cc2c(=O)n1N Show InChI InChI=1S/C17H23F2N3O/c1-2-3-4-5-6-7-8-9-16-21-15-11-14(19)13(18)10-12(15)17(23)22(16)20/h10-11H,2-9,20H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049 BindingDB Entry DOI: 10.7270/Q2W95DHC
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512173 (CHEMBL4521273) Show SMILES CCCCCCCCCc1nc2cc(F)ccc2c(=O)n1N Show InChI InChI=1S/C17H24FN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049 BindingDB Entry DOI: 10.7270/Q2W95DHC
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512170 (CHEMBL4518045) Show SMILES CCCCCCCCCc1nc2cc(Cl)ccc2c(=O)n1N Show InChI InChI=1S/C17H24ClN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049 BindingDB Entry DOI: 10.7270/Q2W95DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512169 (CHEMBL4587386) Show SMILES CS(=O)(=O)c1nccc(n1)-n1cnnn1 Show InChI InChI=1S/C6H6N6O2S/c1-15(13,14)6-7-3-2-5(9-6)12-4-8-10-11-12/h2-4H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsR				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049 BindingDB Entry DOI: 10.7270/Q2W95DHC
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512172 (CHEMBL4453677) Show SMILES CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1 Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-10-20(18,19)12-13-7-6-11(15-12)17-9-8-14-16-17/h6-9H,2-5,10H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsR				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049 BindingDB Entry DOI: 10.7270/Q2W95DHC
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440126 (CHEMBL2426233) Show SMILES Nc1nnc(o1)-c1cccc(c1)C#N Show InChI InChI=1S/C9H6N4O/c10-5-6-2-1-3-7(4-6)8-12-13-9(11)14-8/h1-4H,(H2,11,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440127 (CHEMBL2426238) Show SMILES Cc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O/c1-6-14-15-9(16-6)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440122 (CHEMBL2426235) Show SMILES Cc1cccc(c1)-c1nnc(N)o1 Show InChI InChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440128 (CHEMBL1545380) Show SMILES FC(F)(F)c1cc(n[nH]1)-c1cccs1 Show InChI InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM98803 (EN300-42473 | US8487093, 193) Show SMILES Nc1cccc(Br)n1 Show InChI InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440128 (CHEMBL1545380) Show SMILES FC(F)(F)c1cc(n[nH]1)-c1cccs1 Show InChI InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50106197 (3-Bromo-benzamide | CHEMBL122690) Show SMILES NC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440129 (CHEMBL2426231) Show SMILES Nc1nnc(o1)-c1cccc(Br)c1 Show InChI InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM98803 (EN300-42473 | US8487093, 193) Show SMILES Nc1cccc(Br)n1 Show InChI InChI=1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50106197 (3-Bromo-benzamide | CHEMBL122690) Show SMILES NC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440121 (CHEMBL2426237 | US11634391, Compound 117) Show SMILES FC(F)(F)c1cccc(c1)-c1nnco1 Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440130 (CHEMBL1383520 | US11634391, Compound 168) Show SMILES Nc1nnc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440130 (CHEMBL1383520 | US11634391, Compound 168) Show SMILES Nc1nnc(s1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440131 (CHEMBL2426236) Show SMILES CC(C)(C)c1cccc(c1)-c1nnc(N)o1 Show InChI InChI=1S/C12H15N3O/c1-12(2,3)9-6-4-5-8(7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440132 (CHEMBL154085 | Naphthalene-2-Carboxylic Acid Amide) Show SMILES NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440133 (CHEMBL2426225) Show SMILES CC(C)(C)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titrati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440132 (CHEMBL154085 | Naphthalene-2-Carboxylic Acid Amide) Show SMILES NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440134 (CHEMBL2426244) Show SMILES CCCCCCCc1nc2ccccc2c(O)c1O Show InChI InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440125 (CHEMBL2426228) Show SMILES Nc1nnc(o1)-c1cccc(Cl)c1 Show InChI InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440124 (CHEMBL2426232) Show SMILES Nc1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in pqs gene-deficient Pseudomonas aeruginosa PA14 by beta-galactosidase reporter ge...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440123 (CHEMBL2426234) Show SMILES Nc1nnc(o1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C9H6F3N3O2/c10-9(11,12)17-6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440122 (CHEMBL2426235) Show SMILES Cc1cccc(c1)-c1nnc(N)o1 Show InChI InChI=1S/C9H9N3O/c1-6-3-2-4-7(5-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.78E+4	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440120 (CHEMBL1393516 | US11634391, Compound 156) Show SMILES Nc1nnc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonanc...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair
Virulence factor transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50440121 (CHEMBL2426237 | US11634391, Compound 117) Show SMILES FC(F)(F)c1cccc(c1)-c1nnco1 Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a
Helmholtz-Institute for Pharmaceutical Research Saarland Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activati...				J Med Chem 56: 6761-74 (2013) Article DOI: 10.1021/jm400830r BindingDB Entry DOI: 10.7270/Q2T72JV2
					More data for this Ligand-Target Pair