BDBM50453110 CHEMBL3127327
SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1
InChI Key: InChIKey=PIDFDZJZLOTZTM-UEECLIOXSA-N
Data: 4 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nonstructural protein 5A (Hepatitis C virus) | BDBM50453110 (CHEMBL3127327) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 136 | n/a | n/a | n/a | n/a |
AbbVie Curated by ChEMBL | Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay | J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RNA polymerase (NS5B) (Hepatitis C virus (HCV)) | BDBM50453110 (CHEMBL3127327) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
AbbVie Curated by ChEMBL | Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ... | J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RNA polymerase (NS5B) (Hepatitis C virus (HCV)) | BDBM50453110 (CHEMBL3127327) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
AbbVie Curated by ChEMBL | Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa... | J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nonstructural protein 5A (Hepatitis C virus) | BDBM50453110 (CHEMBL3127327) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 986 | n/a | n/a | n/a | n/a |
AbbVie Curated by ChEMBL | Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b... | J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H | |||||||||||
More data for this Ligand-Target Pair |