BDBM23886 3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperazin-1-yl]-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propyl]benzene-1-carboximidamide::3-amidinophenylalanine deriv., 30
SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1
InChI Key: InChIKey=XKXAXFJNQDWDNX-HKBQPEDESA-N
Data: 8 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matriptase (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 100 | -9.54 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Curacyte Chemistry GmbH | Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... | J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matriptase (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay | Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH | Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... | J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH | Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... | J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH | Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... | J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte growth factor activator (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu... | Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepsin (Homo sapiens (Human)) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay | Bioorg Med Chem 23: 2328-43 (2015) Article DOI: 10.1016/j.bmc.2015.03.072 BindingDB Entry DOI: 10.7270/Q23F4RB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor Xa (fXa) (Bos taurus) | BDBM23886 (3-[(2S)-3-oxo-3-[4-(piperidin-4-ylcarbonyl)piperaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Curacyte Chemistry GmbH | Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af... | J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64 | |||||||||||
More data for this Ligand-Target Pair |