BDBM50120368 (2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid::(3S,4R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid::(R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid::1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid::BMS-262084::CHEMBL71037
SMILES: CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O
InChI Key: InChIKey=MFTQITSPGQORDA-NEPJUHHUSA-N
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against bovine trypsin | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against human tryptase | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmin (Rattus norvegicus) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against plasmin | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against bovine trypsin | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Irreversible inhibition of human factor 11a | J Med Chem 57: 955-69 (2014) Article DOI: 10.1021/jm401670x BindingDB Entry DOI: 10.7270/Q2G44RTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against Urokinase-type plasminogen activator | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase delta (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro inhibition of human tryptase. | Bioorg Med Chem Lett 12: 3229-33 (2002) BindingDB Entry DOI: 10.7270/Q2QC05PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase delta (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against human tryptase | Bioorg Med Chem Lett 12: 3235-8 (2002) BindingDB Entry DOI: 10.7270/Q2KK9DZP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >8.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against tissue type plasminogen activator | Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697 | |||||||||||
More data for this Ligand-Target Pair |