BDBM50158845 2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-dihydroxypyrimidine-4-carboxylic acid::2-[3-({[(2-chlorobenzyl)amino]carbonyl}amino)-2-thienyl]-5,6-dihydroxypyrimidine-4-carboxylic acid::2-{3-[3-(2-Chloro-benzyl)-ureido]-thiophen-2-yl}-5-hydroxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid::CHEMBL175882
SMILES: OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
InChI Key: InChIKey=COWNEZLXLGOWIV-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of replication of HCV 1b BK RNA in Huh7 cells | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 2a BK NS5B deltaC21 RNA polymerase | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 1b BK NS5B RNA polymerase | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of replication of HCV 1b BK RNA in Huh7 cells | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 1b BK NS5B deltaC21 RNA polymerase | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus (HCV)) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL 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 |
University of Wollongong Curated by ChEMBL | Assay Description Inhibitory concentration against hepatitis C virus polymerase | J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
P. Angeletti S.p.A. (Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HCV 3a BK NS5B deltaC21 RNA polymerase | J Med Chem 49: 1693-705 (2006) Article DOI: 10.1021/jm051064t BindingDB Entry DOI: 10.7270/Q2QJ7GWR | |||||||||||
More data for this Ligand-Target Pair |