BDBM14543 2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-2-oxo-1,2-dihydropyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide::CHEMBL77490::Pyrazinone Analog 29f
SMILES: NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
InChI Key: InChIKey=QTEZLPKXQWGAMA-UHFFFAOYSA-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 |
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Prothrombin (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation | Assay Description Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was... | J Med Chem 46: 4050-62 (2003) Article DOI: 10.1021/jm030131l BindingDB Entry DOI: 10.7270/Q2FT8J9M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation | Assay Description Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th... | J Med Chem 46: 4050-62 (2003) Article DOI: 10.1021/jm030131l BindingDB Entry DOI: 10.7270/Q2FT8J9M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation Curated by ChEMBL | Assay Description Inhibitory activity of the compound against Thrombin | Bioorg Med Chem Lett 13: 2319-25 (2003) BindingDB Entry DOI: 10.7270/Q2G16068 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology Curated by ChEMBL | Assay Description Inhibition of recombinant soluble tissue factor (unknown origin)/recombinant human factor 7a using N-methylsulfonyl-D-phe-gly arg-p-nitroaniline as s... | Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation Curated by ChEMBL | Assay Description Inhibitory activity of the compound against trypsin | Bioorg Med Chem Lett 13: 2319-25 (2003) BindingDB Entry DOI: 10.7270/Q2G16068 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hefei University of Technology Curated by ChEMBL | Assay Description Inhibition of human thrombin using H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins | Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14543 (2-[6-(3-aminophenyl)-5-chloro-3-(cyclobutylamino)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation Curated by ChEMBL | Assay Description Inhibitory activity of the compound against coagulation factor X | Bioorg Med Chem Lett 13: 2319-25 (2003) BindingDB Entry DOI: 10.7270/Q2G16068 | |||||||||||
More data for this Ligand-Target Pair |