Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50007176   

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 (Hepatitis C virus)	BDBM50507035 (CHEMBL4542541) Show SMILES Clc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(Cl)cc1 |c:11,t:21| Show InChI InChI=1S/C24H20Cl2N4/c25-19-5-9-21(10-6-19)29-15-13-27-23(29)17-1-2-18(4-3-17)24-28-14-16-30(24)22-11-7-20(26)8-12-22/h1-12H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50216627 ((alpha-methyl-1-adamantyl)methylamine | 1-Adamanta...) Show SMILES CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8| Show InChI InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507039 (CHEMBL4435642) Show SMILES Fc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(F)cc1 |c:11,t:21| Show InChI InChI=1S/C24H20F2N4/c25-19-5-9-21(10-6-19)29-15-13-27-23(29)17-1-2-18(4-3-17)24-28-14-16-30(24)22-11-7-20(26)8-12-22/h1-12H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507036 (CHEMBL4435640) Show SMILES COc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(OC)cc1 |c:12,t:22| Show InChI InChI=1S/C26H26N4O2/c1-31-23-11-7-21(8-12-23)29-17-15-27-25(29)19-3-5-20(6-4-19)26-28-16-18-30(26)22-9-13-24(32-2)14-10-22/h3-14H,15-18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507033 (CHEMBL4557295) Show SMILES C1CN=C(N1)c1ccc(cc1)C1=NCCN1c1ccccc1 |c:2,t:13| Show InChI InChI=1S/C18H18N4/c1-2-4-16(5-3-1)22-13-12-21-18(22)15-8-6-14(7-9-15)17-19-10-11-20-17/h1-9H,10-13H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507034 (CHEMBL4475606) Show SMILES C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1ccccn1)c1ccccn1 |c:3,t:13| Show InChI InChI=1S/C22H20N6/c1-3-11-23-19(5-1)27-15-13-25-21(27)17-7-9-18(10-8-17)22-26-14-16-28(22)20-6-2-4-12-24-20/h1-12H,13-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507031 (CHEMBL4577800) Show SMILES COc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1 |c:12,t:22| Show InChI InChI=1S/C19H20N4O/c1-24-17-8-6-16(7-9-17)23-13-12-22-19(23)15-4-2-14(3-5-15)18-20-10-11-21-18/h2-9H,10-13H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507032 (CHEMBL4590080) Show SMILES Fc1ccc(cc1)N1CCN=C1c1ccc(cc1)C1=NCCN1 |c:11,t:21| Show InChI InChI=1S/C18H17FN4/c19-15-5-7-16(8-6-15)23-12-11-22-18(23)14-3-1-13(2-4-14)17-20-9-10-21-17/h1-8H,9-12H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507030 (CHEMBL4469214) Show SMILES C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1cccnc1)c1cccnc1 |c:3,t:13| Show InChI InChI=1S/C22H20N6/c1-3-19(15-23-9-1)27-13-11-25-21(27)17-5-7-18(8-6-17)22-26-12-14-28(22)20-4-2-10-24-16-20/h1-10,15-16H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507037 (CHEMBL4468812) Show SMILES C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1ccccc1)c1ccccc1 |c:3,t:13| Show InChI InChI=1S/C24H22N4/c1-3-7-21(8-4-1)27-17-15-25-23(27)19-11-13-20(14-12-19)24-26-16-18-28(24)22-9-5-2-6-10-22/h1-14H,15-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507040 (CHEMBL4456694) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN=C1c1ccc(cc1)C1=NCCN1c1ccc(cn1)C(F)(F)F |c:14,t:24| Show InChI InChI=1S/C24H18F6N6/c25-23(26,27)17-5-7-19(33-13-17)35-11-9-31-21(35)15-1-2-16(4-3-15)22-32-10-12-36(22)20-8-6-18(14-34-20)24(28,29)30/h1-8,13-14H,9-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50507038 (CHEMBL4528354) Show SMILES C1CN(C(=N1)c1ccc(cc1)C1=NCCN1c1cnccn1)c1cnccn1 |c:3,t:13| Show InChI InChI=1S/C20H18N8/c1-2-16(20-26-10-12-28(20)18-14-22-6-8-24-18)4-3-15(1)19-25-9-11-27(19)17-13-21-5-7-23-17/h1-8,13-14H,9-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with c...				Eur J Med Chem 161: 526-532 (2019) Article DOI: 10.1016/j.ejmech.2018.10.063 BindingDB Entry DOI: 10.7270/Q2ZW1Q61
					More data for this Ligand-Target Pair