Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with Target = 'Acyl-homoserine lactone acylase PvdQ'   

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
Acyl-homoserine lactone acylase PvdQ (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM113772 (2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2...) Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H	MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113784 (2-(4-Chlorophenyl)-2-(6-(trifluoromethyl)pyridin-2...) Show SMILES FC(F)(F)c1cccc(n1)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H8ClF3N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113799 (2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)...) Show SMILES Fc1cc(Cl)ccc1C(C#N)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C14H7ClF4N2/c15-9-2-3-10(12(16)5-9)11(6-20)13-4-1-8(7-21-13)14(17,18)19/h1-5,7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113783 (2-(4-Chlorophenyl)-2-(3-chloropyridin-2-yl) aceton...) Show SMILES Clc1ccc(cc1)C(C#N)c1ncccc1Cl Show InChI InChI=1S/C13H8Cl2N2/c14-10-5-3-9(4-6-10)11(8-16)13-12(15)2-1-7-17-13/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM113770 (NS2028 (1)) Show SMILES Brc1ccc2OCc3noc(=O)n3-c2c1 Show InChI InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2	MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113772 (2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2...) Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-homoserine lactone acylase PvdQ (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50257750 (CHEMBL494325 | N-allyl-6-bromoquinazolin-4-amine |...) Show SMILES Brc1ccc2ncnc(NCC=C)c2c1 Show InChI InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)	MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113771 (2‐(4‐chlorophenyl)‐2‐(6...) Show SMILES Clc1ccc(cc1)C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C13H8Cl2N2/c14-10-6-4-9(5-7-10)11(8-16)12-2-1-3-13(15)17-12/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113781 (2-(4-Chloro-2-fluorophenyl)-2-(6-chloropyridin-2-y...) Show SMILES Fc1cc(Cl)ccc1C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C13H7Cl2FN2/c14-8-4-5-9(11(16)6-8)10(7-17)12-2-1-3-13(15)18-12/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113777 (2-(6-Chloropyridin-2-yl)-2-(4-fluorophenyl)acetoni...) Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C13H8ClFN2/c14-13-3-1-2-12(17-13)11(8-16)9-4-6-10(15)7-5-9/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113798 (6-((4-Chloro-2-fluorophenyl)(cyano)methyl) picolin...) Show SMILES Fc1cc(Cl)ccc1C(C#N)c1cccc(n1)C#N Show InChI InChI=1S/C14H7ClFN3/c15-9-4-5-11(13(16)6-9)12(8-18)14-3-1-2-10(7-17)19-14/h1-6,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113782 (2-(4-Chlorophenyl)-2-(5-chloropyridin-2-yl) aceton...) Show SMILES Clc1ccc(cc1)C(C#N)c1ccc(Cl)cn1 Show InChI InChI=1S/C13H8Cl2N2/c14-10-3-1-9(2-4-10)12(7-16)13-6-5-11(15)8-17-13/h1-6,8,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113793 (6-(Cyano(4-fluorophenyl)methyl)picolinonitrile (25...) Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(n1)C#N Show InChI InChI=1S/C14H8FN3/c15-11-6-4-10(5-7-11)13(9-17)14-3-1-2-12(8-16)18-14/h1-7,13H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113794 (6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinoni...) Show SMILES Cc1ccc(nc1C#N)C(C#N)c1ccc(F)cc1 Show InChI InChI=1S/C15H10FN3/c1-10-2-7-14(19-15(10)9-18)13(8-17)11-3-5-12(16)6-4-11/h2-7,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113797 (2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethy...) Show SMILES FC(F)(F)c1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H8F6N2/c16-14(17,18)10-6-4-9(5-7-10)11(8-22)12-2-1-3-13(23-12)15(19,20)21/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113785 (6-((4-Chlorophenyl)(cyano)methyl)picolinonitrile (...) Show SMILES Clc1ccc(cc1)C(C#N)c1cccc(n1)C#N Show InChI InChI=1S/C14H8ClN3/c15-11-6-4-10(5-7-11)13(9-17)14-3-1-2-12(8-16)18-14/h1-7,13H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113790 (6-((4-Chlorophenyl)(cyano)methyl)-3-methyl picolin...) Show SMILES Cc1ccc(nc1C#N)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClN3/c1-10-2-7-14(19-15(10)9-18)13(8-17)11-3-5-12(16)6-4-11/h2-7,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113803 (2-(3-Chloropyridin-2-yl)-2-(2,4-dichlorophenyl) ac...) Show SMILES Clc1ccc(C(C#N)c2ncccc2Cl)c(Cl)c1 Show InChI InChI=1S/C13H7Cl3N2/c14-8-3-4-9(12(16)6-8)10(7-17)13-11(15)2-1-5-18-13/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113787 (2-(4-Chlorophenyl)-2-(5-methylpyridin-2-yl) aceton...) Show SMILES Cc1ccc(nc1)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2/c1-10-2-7-14(17-9-10)13(8-16)11-3-5-12(15)6-4-11/h2-7,9,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113780 (2-(6-Chloropyridin-2-yl)-2-(2,4-dichlorophenyl) ac...) Show SMILES Clc1ccc(C(C#N)c2cccc(Cl)n2)c(Cl)c1 Show InChI InChI=1S/C13H7Cl3N2/c14-8-4-5-9(11(15)6-8)10(7-17)12-2-1-3-13(16)18-12/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113786 (2-(4-Chlorophenyl)-2-(6-methylpyridin-2-yl)acetoni...) Show SMILES Cc1cccc(n1)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2/c1-10-3-2-4-14(17-10)13(9-16)11-5-7-12(15)8-6-11/h2-8,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113813 (2-(4-Chlorophenyl)-2-(pyrrolidin-1-yl)acetonitrile...) Show SMILES Clc1ccc(cc1)C(C#N)N1CCCC1 Show InChI InChI=1S/C12H13ClN2/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,12H,1-2,7-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113792 (2-(4-Chlorophenyl)-2-(pyridin-2-yl)acetonitrile (2...) Show SMILES Clc1ccc(cc1)C(C#N)c1ccccn1 Show InChI InChI=1S/C13H9ClN2/c14-11-6-4-10(5-7-11)12(9-15)13-3-1-2-8-16-13/h1-8,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113807 (2-(4-Chlorophenyl)-4-methylpentanenitrile (39)) Show SMILES CC(C)CC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H14ClN/c1-9(2)7-11(8-14)10-3-5-12(13)6-4-10/h3-6,9,11H,7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113815 (2-(4-Fluorophenyl)-4-methoxybutanenitrile (47)) Show SMILES COCCC(C#N)c1ccc(F)cc1 Show InChI InChI=1S/C11H12FNO/c1-14-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10H,6-7H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113801 (6-(Cyano(2,4-dichlorophenyl)methyl)picolinonitrile...) Show SMILES Clc1ccc(C(C#N)c2cccc(n2)C#N)c(Cl)c1 Show InChI InChI=1S/C14H7Cl2N3/c15-9-4-5-11(13(16)6-9)12(8-18)14-3-1-2-10(7-17)19-14/h1-6,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113775 (2‐(6‐chloropyridin‐2‐yl)&#...) Show SMILES Clc1cccc(n1)C(C#N)c1ccccc1 Show InChI InChI=1S/C13H9ClN2/c14-13-8-4-7-12(16-13)11(9-15)10-5-2-1-3-6-10/h1-8,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113814 (2-(4-Fluorophenyl)hexanenitrile (46)) Show SMILES CCCCC(C#N)c1ccc(F)cc1 Show InChI InChI=1S/C12H14FN/c1-2-3-4-11(9-14)10-5-7-12(13)8-6-10/h5-8,11H,2-4H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113818 (2-(5-Fluoropyridin-2-yl)hexanenitrile (50)) Show SMILES CCCCC(C#N)c1ccc(F)cn1 Show InChI InChI=1S/C11H13FN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD 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
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113778 (2-(6-Chloropyridin-2-yl)-2-(4-(trifluoromethyl) ph...) Show SMILES FC(F)(F)c1ccc(cc1)C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C14H8ClF3N2/c15-13-3-1-2-12(20-13)11(8-19)9-4-6-10(7-5-9)14(16,17)18/h1-7,11H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113776 (2‐(6‐chloropyridin‐2‐yl)&#...) Show SMILES COc1ccccc1C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C14H11ClN2O/c1-18-13-7-3-2-5-10(13)11(9-16)12-6-4-8-14(15)17-12/h2-8,11H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113808 (2-(4-Chlorophenyl)-3-cyclopropylpropanenitrile (40...) Show SMILES Clc1ccc(cc1)C(CC1CC1)C#N Show InChI InChI=1S/C12H12ClN/c13-12-5-3-10(4-6-12)11(8-14)7-9-1-2-9/h3-6,9,11H,1-2,7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113789 (2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-...) Show SMILES FC(F)(F)c1ccc(nc1Cl)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H7Cl2F3N2/c15-9-3-1-8(2-4-9)10(7-20)12-6-5-11(13(16)21-12)14(17,18)19/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113800 (2-(4-Chloro-2-fluorophenyl)-2-(6-chloro-5-(trifluo...) Show SMILES Fc1cc(Cl)ccc1C(C#N)c1ccc(c(Cl)n1)C(F)(F)F Show InChI InChI=1S/C14H6Cl2F4N2/c15-7-1-2-8(11(17)5-7)9(6-21)12-4-3-10(13(16)22-12)14(18,19)20/h1-5,9H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113795 (2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-...) Show SMILES Fc1ccc(cc1)C(C#N)c1ccc(c(Cl)n1)C(F)(F)F Show InChI InChI=1S/C14H7ClF4N2/c15-13-11(14(17,18)19)5-6-12(21-13)10(7-20)8-1-3-9(16)4-2-8/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113804 (2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(2,...) Show SMILES FC(F)(F)c1ccc(nc1Cl)C(C#N)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C14H6Cl3F3N2/c15-7-1-2-8(11(16)5-7)9(6-21)12-4-3-10(13(17)22-12)14(18,19)20/h1-5,9H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113822 (2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2...) Show SMILES CC(C#N)(c1ccc(Cl)cc1)c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C15H10ClF3N2/c1-14(9-20,10-2-5-12(16)6-3-10)13-7-4-11(8-21-13)15(17,18)19/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113806 (2-(4-Chlorophenyl)hexanenitrile (38)) Show SMILES CCCCC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H14ClN/c1-2-3-4-11(9-14)10-5-7-12(13)8-6-10/h5-8,11H,2-4H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113779 (2-(6-Chloropyridin-2-yl)-2-(2-(trifluoromethoxy)-p...) Show SMILES FC(F)(F)Oc1ccccc1C(C#N)c1cccc(Cl)n1 Show InChI InChI=1S/C14H8ClF3N2O/c15-13-7-3-5-11(20-13)10(8-19)9-4-1-2-6-12(9)21-14(16,17)18/h1-7,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113802 (6-(Cyano(2,4-dichlorophenyl)methyl)nicotinonitrile...) Show SMILES Clc1ccc(C(C#N)c2ccc(cn2)C#N)c(Cl)c1 Show InChI InChI=1S/C14H7Cl2N3/c15-10-2-3-11(13(16)5-10)12(7-18)14-4-1-9(6-17)8-19-14/h1-5,8,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM113772 (2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2...) Show SMILES Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C14H8F4N2/c15-10-6-4-9(5-7-10)11(8-19)12-2-1-3-13(20-12)14(16,17)18/h1-7,11H	MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113796 (2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-...) Show SMILES FC(F)(F)c1ccc(cc1)C(C#N)c1ccc(c(Cl)n1)C(F)(F)F Show InChI InChI=1S/C15H7ClF6N2/c16-13-11(15(20,21)22)5-6-12(24-13)10(7-23)8-1-3-9(4-2-8)14(17,18)19/h1-6,10H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113788 (2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2...) Show SMILES FC(F)(F)c1ccc(nc1)C(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C14H8ClF3N2/c15-11-4-1-9(2-5-11)12(7-19)13-6-3-10(8-20-13)14(16,17)18/h1-6,8,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113791 (6-((4-Chlorophenyl)(cyano)methyl)nicotinonitrile (...) Show SMILES Clc1ccc(cc1)C(C#N)c1ccc(cn1)C#N Show InChI InChI=1S/C14H8ClN3/c15-12-4-2-11(3-5-12)13(8-17)14-6-1-10(7-16)9-18-14/h1-6,9,13H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113820 (2-Chloro-6-((4-chlorophenyl)(1H-tetrazol-5-yl)-met...) Show SMILES Clc1ccc(cc1)C(c1nnn[nH]1)c1cccc(Cl)n1 Show InChI InChI=1S/C13H9Cl2N5/c14-9-6-4-8(5-7-9)12(13-17-19-20-18-13)10-2-1-3-11(15)16-10/h1-7,12H,(H,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113817 (2-(5-Chloropyridin-2-yl)hexanenitrile (49)) Show SMILES CCCCC(C#N)c1ccc(Cl)cn1 Show InChI InChI=1S/C11H13ClN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113810 (2-(4-Chlorophenyl)-4-(2-methoxyethoxy)butanenitril...) Show SMILES COCCOCCC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C13H16ClNO2/c1-16-8-9-17-7-6-12(10-15)11-2-4-13(14)5-3-11/h2-5,12H,6-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113809 (2-(4-Chlorophenyl)-4-methoxybutanenitrile (41)) Show SMILES COCCC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClNO/c1-14-7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10H,6-7H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113805 (2-(4-Chlorophenyl)pentanenitrile (37)) Show SMILES CCCC(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C11H12ClN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h4-7,10H,2-3H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair
Acyl-homoserine lactone acylase PvdQ [A190E,F674L] (Pseudomonas aeruginosa)	BDBM113821 (5-(1-(4-Chlorophenyl)pentyl)-1H-tetrazole (53)) Show SMILES CCCCC(c1nnn[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H15ClN4/c1-2-3-4-11(12-14-16-17-15-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3,(H,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute , Cambridge, Massachusetts 02142, United States					Assay Description The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...				ACS Chem Biol 9: 1536-44 (2014) Article DOI: 10.1021/cb5001586 BindingDB Entry DOI: 10.7270/Q2PC311M
					More data for this Ligand-Target Pair

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