Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 413.8 BDBM50125801

Wt: 411.8 BDBM50409783

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display   

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)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(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	350	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Influenza replication				Antimicrob Agents Chemother 40: 1304-7 (1996) BindingDB Entry DOI: 10.7270/Q2DZ09B6
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(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	430	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cap 1 ALMV primed Influenza transcriptase				Antimicrob Agents Chemother 40: 1304-7 (1996) BindingDB Entry DOI: 10.7270/Q2DZ09B6
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50409783 (CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...) Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H23ClNO4/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/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125801 (4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...) Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(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	n/a	n/a	860	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair