Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Polymerase acidic protein [1-204,T86I,G186S]'   

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
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105203 (6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...) Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105202 (5,6-bis(4-Fluorophenyl)-3-hydroxypyridin-2(1H)-one...) Show SMILES Oc1cc(-c2ccc(F)cc2)c([nH]c1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C17H11F2NO2/c18-12-5-1-10(2-6-12)14-9-15(21)17(22)20-16(14)11-3-7-13(19)8-4-11/h1-9,21H,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105200 (6-Phenyl-3-hydroxypyridin-2(1H)-one (Compound 4)) Show SMILES Oc1ccc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-7,13H,(H,12,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105201 (6-(3-Methoxyphenyl-3-hydroxypyridin-2(1H)-one (Com...) Show SMILES COc1cccc(c1)-c1ccc(O)c(=O)[nH]1 Show InChI InChI=1S/C12H11NO3/c1-16-9-4-2-3-8(7-9)10-5-6-11(14)12(15)13-10/h2-7,14H,1H3,(H,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105199 (5-(3-Cyanophenyl)-3-hydroxypyridin-2(1H)-one (Comp...) Show SMILES Oc1cc(c[nH]c1=O)-c1cccc(c1)C#N Show InChI InChI=1S/C12H8N2O2/c13-6-8-2-1-3-9(4-8)10-5-11(15)12(16)14-7-10/h1-5,7,15H,(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM50291683 (1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...) Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105198 (5‐bromo‐3‐hydroxy‐1,2̴...) Show SMILES Oc1cc(Br)c[nH]c1=O Show InChI InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105189 (5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783) Show SMILES Oc1cc(Cl)c[nH]c1=O Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105189 (5-chloropyridine-2,3-diol (CV22-1) | CHEMBL2338783) Show SMILES Oc1cc(Cl)c[nH]c1=O Show InChI InChI=1S/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM50027331 (1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...) Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105188 (N-[3-(aminomethyl)phenyl]aminosulfonamide | N-[3-(...) Show SMILES NCc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C7H11N3O2S/c8-5-6-2-1-3-7(4-6)10-13(9,11)12/h1-4,10H,5,8H2,(H2,9,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105194 (methyl 4-(methylsulfanyl)-6-oxo-2-phenyl-1,6-dihyd...) Show SMILES COC(=O)c1c(SC)nc([nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N2O3S/c1-18-13(17)9-11(16)14-10(15-12(9)19-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105184 (1-methyl-1H-1,3-benzodiazole-2-carboxylic acid (MB...) Show SMILES Cn1c(nc2ccccc12)C(O)=O Show InChI InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105186 (isoquinoline-3-carboxylic acid (MB61-3)) Show SMILES OC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105185 (7-aminothieno[2,3-b]pyrazine-6-carboxylic acid (MB...) Show SMILES Nc1c(sc2nccnc12)C(O)=O Show InChI InChI=1S/C7H5N3O2S/c8-3-4-6(10-2-1-9-4)13-5(3)7(11)12/h1-2H,8H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105187 ([4-(aminomethyl)phenyl]methanesulfonamide (EN-8)) Show SMILES NCc1ccc(CS(N)(=O)=O)cc1 Show InChI InChI=1S/C8H12N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University									ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105196 (3-bromoimidazo[1,2-a]pyridine) Show SMILES Brc1cnc2ccccn12 Show InChI InChI=1S/C7H5BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-5H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105195 (6-bromopyridin-3-amine | EN300-53250) Show SMILES Nc1ccc(Br)nc1 Show InChI InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105193 (4‐(1H‐imidazol‐1‐yl)phenol...) Show SMILES Oc1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105192 (3-Aminothieno[2,3-b]pyridine-2-carboxylic acid) Show SMILES Nc1c(sc2ncccc12)C(O)=O Show InChI InChI=1S/C8H6N2O2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,9H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105191 (4-(1H-1,2,4-Triazol-1-yl)benzoic acid) Show SMILES OC(=O)c1ccc(cc1)-n1cncn1 Show InChI InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S] (2009 H1N1 Influenza)	BDBM105190 (4-amino-3-bromopyridine | EN300-81773) Show SMILES Nc1ccncc1Br Show InChI InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University					Assay Description Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...				ACS Chem Biol 8: 2501-8 (2013) Article DOI: 10.1021/cb400400j BindingDB Entry DOI: 10.7270/Q28W3BZW
					More data for this Ligand-Target Pair