Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50049190   

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)	BDBM50385568 (CHEMBL2040640) Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(C1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385503 (CHEMBL2040554) Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C23H30ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h6-9,18H,1-5,10-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50122448 (CHEMBL463590 | L-742001) Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polymerase acidic protein (Hepatitis C virus)	BDBM50385528 (CHEMBL2040586) Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H23Cl2NO4/c24-18-5-1-16(2-6-18)14-23(21(28)13-20(27)22(29)30)9-11-26(12-10-23)15-17-3-7-19(25)8-4-17/h1-8H,9-15H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385531 (CHEMBL2040602) Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1 |w:10.10,6.5| Show InChI InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-10,17,21H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125833 (3-(4-Fluoro-benzylidene)-1-hydroxy-5-isobutyl-3H-p...) Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)n(O)c1=O |w:7.7,3.2| Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17,21H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385529 (CHEMBL2040587) Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385534 (CHEMBL2040605) Show SMILES COc1ccc(C=c2[nH]c(=Cc3ccccc3)c(=O)n(O)c2=O)cc1 |w:10.10,6.5| Show InChI InChI=1S/C19H16N2O4/c1-25-15-9-7-14(8-10-15)12-17-19(23)21(24)18(22)16(20-17)11-13-5-3-2-4-6-13/h2-12,20,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385535 (CHEMBL2040606) Show SMILES On1c(=O)c(=Cc2ccccc2)[nH]c(=Cc2ccc(F)cc2)c1=O |w:5.5,14.15| Show InChI InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-11,20,24H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125822 (1-Hydroxy-5-isobutyl-3-isobutylidene-3H-pyrazine-2...) Show SMILES CC(C)C=c1[nH]c(=CC(C)C)c(=O)n(O)c1=O |w:3.2,7.7| Show InChI InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5-8,13,17H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM33410 (CHEMBL16755 | N-hydroxyisoquinolinedione, 2) Show SMILES ON1C(=O)Cc2ccccc2C1=O Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate after 90 mins by scintillation counting				J Med Chem 60: 3533-3551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01227 BindingDB Entry DOI: 10.7270/Q2VQ34XH
					More data for this Ligand-Target Pair				3D Structure (crystal)