BDBM50122882 4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mercapto-ethylcarbamoyl}-3-methyl-butylcarbamoyl)-4-isobutoxycarbonylamino-butyric acid::CHEMBL117815
SMILES: CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl
InChI Key: InChIKey=OPACFFJINGAWIU-KBWCOIMZSA-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) | BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome Curated by ChEMBL | Assay Description Biinding affinity of the compound for enzyme NS3 protease wild-type | J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome Curated by ChEMBL | Assay Description Binding affinity for enzyme K136R | J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome Curated by ChEMBL | Assay Description Biinding affinity of the compound for enzyme K136M | J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome Curated by ChEMBL | Assay Description Binding affinity for enzyme human leukocyte HLE | J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1 | |||||||||||
More data for this Ligand-Target Pair |