BDBM50324478 Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-aminomethyl-5-chlorobenzyl)amide Trifluoroacetate::CHEMBL1215086::CHEMBL1229262
SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1
InChI Key: InChIKey=SMGIPPNIBFQJBW-SXOMAYOGSA-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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Prothrombin (Homo sapiens (Human)) | BDBM50324478 (Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-amino...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg Curated by ChEMBL | Assay Description Inhibition of human thrombin using Tos-Gly-Pro-Arg-AMC as substrate after 600 secs by fluorimetric method | J Med Chem 55: 6094-110 (2012) Article DOI: 10.1021/jm300337q BindingDB Entry DOI: 10.7270/Q2930V7X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50324478 (Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-amino...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human thrombin | J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Matriptase (Homo sapiens (Human)) | BDBM50324478 (Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-amino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human recombinant matriptase catalytic domain expressed in HEK293 cells after 20 mins | J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transmembrane protease serine 6 (Homo sapiens (Human)) | BDBM50324478 (Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-amino...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 mins | J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transmembrane protease serine 6 (Homo sapiens (Human)) | BDBM50324478 (Benzylsulfonyl-D-cyclohexylalanyl-proline-(2-amino...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human recombinant matriptase 2 expressed in HEK293 cells in conditioned medium after 20 mins | J Med Chem 53: 5523-35 (2010) Article DOI: 10.1021/jm100183e BindingDB Entry DOI: 10.7270/Q25B02PD | |||||||||||
More data for this Ligand-Target Pair |