BDBM11232 N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-N1-((1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide::TG-0203770::TG-0205221 Analogue 4::ethyl (2E,4S)-4-[(2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)butanamido]-4-methylpentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SMILES: CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
InChI Key: InChIKey=PWBQMVUCCVWDEJ-YVSZZSSPSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 58 | -9.87 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
TaiGen Biotechnology Co. | Assay Description The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse... | J Med Chem 49: 4971-80 (2006) Article DOI: 10.1021/jm0603926 BindingDB Entry DOI: 10.7270/Q24B2ZJT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 58 | -9.87 | n/a | n/a | n/a | n/a | n/a | 6.5 | 25 |
National Yang-Ming University | Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a... | J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy)) | BDBM11232 (N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.50E+3 | -7.94 | n/a | n/a | n/a | n/a | n/a | 6.5 | 25 |
National Yang-Ming University | Assay Description Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a... | J Biol Chem 284: 7646-55 (2009) Article DOI: 10.1074/jbc.M807947200 BindingDB Entry DOI: 10.7270/Q2SN07KT | |||||||||||
More data for this Ligand-Target Pair |