Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50003011   

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
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM50324670 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric method				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Anthranilate--CoA ligase (Pseudomonas aeruginosa (Gram- Bacteria))	BDBM50465699 (CHEMBL377483) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H19N7O7S/c18-14-11-15(20-6-19-14)24(7-21-11)17-13(27)12(26)10(31-17)5-22-32(29,30)23-16(28)8-3-1-2-4-9(8)25/h1-4,6-7,10,12-13,17,22,25-27H,5H2,(H,23,28)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric method				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50351251 (CHEMBL1818523) Show SMILES CCCCCCCCCCCCn1nnc(CC(O)=O)n1 Show InChI InChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-14(16-18-19)13-15(20)21/h2-13H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50241433 ((S)-3-(4-bromophenyl)-N-(2-oxo-tetrahydrofuran-3-y...) Show SMILES Brc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C13H14BrNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50351508 (CHEMBL259352) Show SMILES CCCCCCCC(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50241431 ((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...) Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r| Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465709 (8-Azaguanine | CHEBI:63486) Show SMILES Nc1nc(O)c2[nH]nnc2n1 Show InChI InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa PAO1 harboring GFP-fused quorum sensing lasB measured every 15 mins for 14 hrs by GFP reporter ...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465704 (CHEMBL4282406) Show SMILES CCCCCCCOc1ccc(cc1)C(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C18H25NO4/c1-2-3-4-5-6-12-22-15-9-7-14(8-10-15)17(20)19-16-11-13-23-18(16)21/h7-10,16H,2-6,11-13H2,1H3,(H,19,20)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50465707 (CHEMBL4292096) Show SMILES CCCCCCS(=O)(=O)c1ncc(cn1)-n1ccnn1 Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-8-20(18,19)12-13-9-11(10-14-12)17-7-6-15-16-17/h6-7,9-10H,2-5,8H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsD				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465705 (CHEMBL258912) Show SMILES [H][C@@]1(CCOC1=O)NC(=O)Cc1cccc(I)c1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-2-8(6-9)7-11(15)14-10-4-5-17-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/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	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465706 (CHEMBL4284314) Show SMILES O=C(N[C@H]1CCOC1=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1 |r| Show InChI InChI=1S/C20H18N4O3S/c25-19(21-18-10-11-27-20(18)26)14-6-8-16(9-7-14)24-12-15(22-23-24)13-28-17-4-2-1-3-5-17/h1-9,12,18H,10-11,13H2,(H,21,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50079636 (CHEMBL2413670) Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa PqsD expressed in Escherichia coli using anthraniloyl-CoA as substrate assessed as decrease in HHQ p...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465698 (CHEMBL3403857) Show SMILES CCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1 |r| Show InChI InChI=1S/C12H18N4O3/c1-2-3-4-9-7-16(15-14-9)8-11(17)13-10-5-6-19-12(10)18/h7,10H,2-6,8H2,1H3,(H,13,17)/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	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465708 (CHEMBL3403871) Show SMILES Nc1cccc(c1)-n1cc(CCC(=O)N[C@H]2CCOC2=O)nn1 |r| Show InChI InChI=1S/C15H17N5O3/c16-10-2-1-3-12(8-10)20-9-11(18-19-20)4-5-14(21)17-13-6-7-23-15(13)22/h1-3,8-9,13H,4-7,16H2,(H,17,21)/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	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465697 (CHEMBL4289544) Show SMILES Clc1ccc(SCCC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C13H14ClNO3S/c14-9-1-3-10(4-2-9)19-8-6-12(16)15-11-5-7-18-13(11)17/h1-4,11H,5-8H2,(H,15,16)/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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
HTH-type quorum-sensing regulator RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50465702 (CHEMBL4292339) Show SMILES Brc1cccc(OCCCCC(=O)NC2CCSC2=O)c1 Show InChI InChI=1S/C15H18BrNO3S/c16-11-4-3-5-12(10-11)20-8-2-1-6-14(18)17-13-7-9-21-15(13)19/h3-5,10,13H,1-2,6-9H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa GFP-fused RhlR expressed in Escherichia coli BL21-Gold (DE3) co-expressing rhlA promoter by beta-galactosidase r...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50027796 (2-(Sulfanilylamino)thiazole | 2-(p-Aminobenzenesul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of LasR in Pseudomonas aeruginosa harboring GFP-fused quorum sensing lasB measured every 15 mins up to 12 hrs by GFP reporter gene assay				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465701 (CHEMBL4293495) Show SMILES CCCCCCCCNC(=O)CC(=O)c1ccccc1 Show InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-10-13-18-17(20)14-16(19)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465700 (CHEMBL4286873) Show SMILES O=C(CCCC1CCCCC1)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C14H23NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,15,16)/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50300131 (CHEMBL575294 | N-(4-bromophenylacetanoyl)-L-homose...) Show SMILES Brc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12BrNO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expressing LVAgfp plasmid by fluorescence assay				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of LasR in Pseudomonas aeruginosa reporter strain harboring gfp-lasB				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50300133 (CHEMBL573744 | N-(indole-3-butanoyl)-L-homoserine ...) Show SMILES O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C16H18N2O3/c19-15(18-14-8-9-21-16(14)20)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expressing LVAgfp plasmid by fluorescence assay				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50465696 (CHEMBL4281471) Show SMILES CS(=O)(=O)c1ncc(cn1)-n1cnnn1 Show InChI InChI=1S/C6H6N6O2S/c1-15(13,14)6-7-2-5(3-8-6)12-4-9-10-11-12/h2-4H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsD				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM23584 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PqsD				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					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
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of RhlR in Pseudomonas aeruginosa reporter strain harboring gfp-rhlA				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
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Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50465703 (CHEMBL1823945) Show SMILES Clc1cccc(c1)C(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-7-3-5-13(11-15)19(25)23-17-9-1-2-10-18(17)24-20(26)14-6-4-8-16(22)12-14/h1-12H,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene a...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
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3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM23570 (2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...) Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa PqsD				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
Transcriptional activator protein LasR (Pseudomonas aeruginosa)	BDBM50351506 (CHEMBL1823934) Show SMILES O=C(CCCCCCCCCN=C=S)CC(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C17H26N2O4S/c20-14(12-16(21)19-15-9-11-23-17(15)22)8-6-4-2-1-3-5-7-10-18-13-24/h15H,1-12H2,(H,19,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of ONPG-induced receptor activation ...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50079636 (CHEMBL2413670) Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant Pseudomonas aeruginosa PqsD at 298 K by ITC assay				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair