BDBM50144535 (2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid::(R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid::CHEMBL70350
SMILES: OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
InChI Key: InChIKey=BOPGBYFJKNADGK-VWNXMTODSA-N
Data: 7 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)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 310 | 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)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | 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 | 1 | 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 | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | 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 | 1 | 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 of compound against human tryptase was determined | Bioorg Med Chem Lett 14: 2227-31 (2004) Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | 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 | >3.30E+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 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 | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | 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 | 970 | 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 | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | 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 | 310 | 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 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 | |||||||||||||
Plasmin (Rattus norvegicus) | BDBM50144535 ((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 170 | 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 |