BDBM50084685 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[1-(1-carboxy-2-mercapto-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid::AcAsp-Glu-Dif-Glu-Cha-Cys::CHEMBL417559
SMILES: CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
InChI Key: InChIKey=UJAUCRPOZPWCGV-XJJOYFJPSA-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 |
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Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain) | Bioorg Med Chem Lett 11: 203-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome Curated by ChEMBL | Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease | Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease NS3/Non-structural protein 4A (NS3/NS4A) (Hepatitis C virus genotype 1b (isolate Con1) (HCV)) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of HCV NS3 protease | J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong Curated by ChEMBL | Assay Description Inhibitory constant against hepatitis C virus NS3 protease | 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 serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length) | Bioorg Med Chem Lett 11: 203-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory concentration against Protease | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |