BDBM50125025 2-((S)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-piperazin-1-yl)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide::2-((S)-3-benzyl-4-(benzylsulfonyl)-2-oxopiperazin-1-yl)-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)acetamide::CHEMBL350380
SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@@H](Cc2ccccc2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
InChI Key: InChIKey=CXNOWOFEXHGEMS-ZEQRLZLVSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50125025 (2-((S)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-pipe...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 507 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against serine protease thrombin | Bioorg Med Chem Lett 13: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50125025 (2-((S)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-pipe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human factor 10a | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50125025 (2-((S)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-pipe...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human alpha-thrombin | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50125025 (2-((S)-3-Benzyl-2-oxo-4-phenylmethanesulfonyl-pipe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against factor Xa | Bioorg Med Chem Lett 13: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS | |||||||||||
More data for this Ligand-Target Pair |