BDBM50067532 3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfonylamino)-acetylamino]-propionic acid methyl ester::CHEMBL423699
SMILES: COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChI Key: InChIKey=YAEIKQDHLCFGAA-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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Coagulation factor X (Bos taurus) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 840 | 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 Coagulation factor X | J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 1.80E+3 | 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 Coagulation factor X | J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 3.90E+3 | 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 Thrombin. | J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 5.60E+3 | 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 Trypsin. | J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human)) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 15 ... | J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepsin (Homo sapiens (Human)) | BDBM50067532 (3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Helsinki Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo... | J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT | |||||||||||
More data for this Ligand-Target Pair |