BDBM50060033 3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL97597
SMILES: CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
InChI Key: InChIKey=NXVHWZWNOYBQDB-UHFFFAOYSA-N
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 |
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Thrombin (Bos taurus (Bovine)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie Curated by ChEMBL | Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant | J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NV Organon Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the thrombin inhibition. | Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie Curated by ChEMBL | Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant | J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibitory activity against trypsin | J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | 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 | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibitory activity against plasmin | J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | 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 | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie Curated by ChEMBL | Assay Description Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant | J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Klinikum der Friedrich-Schiller-Universit£t Jena Curated by ChEMBL | Assay Description Inhibitory activity against coagulation factor X. | J Med Chem 40: 3091-9 (1997) Article DOI: 10.1021/jm960668h BindingDB Entry DOI: 10.7270/Q2Z60PRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Biochemie Curated by ChEMBL | Assay Description Inhibitory activity against bovine coagulation factor X expressed as dissociation constant | J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
NV Organon Curated by ChEMBL | Assay Description In vitro thrombin inhibition | Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NV Organon Curated by ChEMBL | Assay Description In vitro trypsin inhibition | Bioorg Med Chem Lett 9: 2837-42 (1999) BindingDB Entry DOI: 10.7270/Q2SB468S | |||||||||||
More data for this Ligand-Target Pair |