Compile Data Set for Download or QSAR

Found 15 hits of ic50 data for polymerid = 50006352   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020375 (CHEMBL3289785) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50499936 (CHEMBL3742171) Show SMILES CC(C)[C@@H]1NC(=O)C[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC1=O)C(C)C)C(C)C)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C29H42N4O6/c1-16(2)23-27(36)30-19(7)26(35)32-24(17(3)4)28(37)33-25(18(5)6)29(38)39-21(15-22(34)31-23)14-13-20-11-9-8-10-12-20/h8-14,16-19,21,23-25H,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,35)(H,33,37)/b14-13+/t19-,21+,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis				J Nat Prod 78: 2827-31 (2015) Article DOI: 10.1021/acs.jnatprod.5b00540 BindingDB Entry DOI: 10.7270/Q20868BF
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50499937 (CHEBI:67522 | Turnagainolide A) Show SMILES [H][C@]1(NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\c1ccccc1)C(C)C)[C@@H](C)CC |r| Show InChI InChI=1S/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis				J Nat Prod 78: 2827-31 (2015) Article DOI: 10.1021/acs.jnatprod.5b00540 BindingDB Entry DOI: 10.7270/Q20868BF
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50499939 (CHEMBL3740058) Show SMILES [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)\C(=C/c2ccc(O)cc2)N(C)C(=O)[C@@H](NC(=O)\C=C\c2ccccc2\C=C/CCC)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O)[C@H](C)O |r| Show InChI InChI=1S/C54H68N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9-25,28,31-33,39-42,46-47,63-65H,7-8,26-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b17-10-,25-22+,43-28+/t32-,33+,39-,40+,41-,42-,46-,47-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis				J Nat Prod 78: 2827-31 (2015) Article DOI: 10.1021/acs.jnatprod.5b00540 BindingDB Entry DOI: 10.7270/Q20868BF
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50499938 (CHEMBL3741390) Show SMILES [H][C@@]12CCCN1C(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(C)C2=O |r| Show InChI InChI=1S/C34H37N5O5/c1-22-30(40)37-27(20-23-12-5-3-6-13-23)31(41)36-26-17-10-9-16-25(26)33(43)39-19-11-18-28(39)34(44)38(2)29(32(42)35-22)21-24-14-7-4-8-15-24/h3-10,12-17,22,27-29H,11,18-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)/t22-,27+,28+,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis				J Nat Prod 78: 2827-31 (2015) Article DOI: 10.1021/acs.jnatprod.5b00540 BindingDB Entry DOI: 10.7270/Q20868BF
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50351512 (CHEMBL8483) Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O |r| Show InChI InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis				J Med Chem 56: 1389-404 (2013) Article DOI: 10.1021/jm3014635 BindingDB Entry DOI: 10.7270/Q2BV7J0M
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020376 (CHEBI:81348 | CHEMBL290932) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020377 (CHEMBL3289786) Show SMILES C[C@H](O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3/t7-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM11318 (1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...) Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020378 (CHEMBL3289787) Show SMILES CC(=O)Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C17H12O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-6,19-21H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020379 (CHEMBL3289788) Show SMILES C[C@@H](O)[C@@H](O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C17H14O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-6,15,18-22H,1H3/t6-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020380 (CHEMBL3289789) Show SMILES CC(=O)C(O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C17H12O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-5,15,19-22H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM115127 (4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxyl...) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50312649 (6-chloro-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroa...) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50020389 (CHEMBL3289790) Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(O)c(O)cc3C(=O)c2c1 Show InChI InChI=1S/C15H8O8/c16-7-2-4(15(22)23)1-5-9(7)13(20)10-6(11(5)18)3-8(17)12(19)14(10)21/h1-3,16-17,19,21H,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay				J Nat Prod 77: 1351-8 (2014) Article DOI: 10.1021/np5000704 BindingDB Entry DOI: 10.7270/Q21V5GJD
					More data for this Ligand-Target Pair