BDBM50084634 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[3-carboxy-1-(1-carboxy-2-mercapto-ethylcarbamoyl)-propylcarbamoyl]-propylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-butyric acid(NS4A-NS4B)::AcAsp-Glu-Met-Glu-Glu-Cys::CHEMBL62717
SMILES: CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O
InChI Key: InChIKey=VGFHUYLCQHZNFZ-DYKIIFRCSA-N
Data: 4 KI
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 serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084634 (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 | 360 | 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 | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50084634 (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 | 500 | 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) | BDBM50084634 (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 | 600 | 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 | |||||||||||||
Human rhinovirus A protease (Human rhinovirus B) | BDBM50084634 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity 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 |