BDBM50115935 (E)-3-(1-Amino-isoquinolin-7-yl)-2-fluoro-but-2-enoic acid (3-fluoro-2'-sulfamoyl-biphenyl-4-yl)-amide::CHEMBL62288
SMILES: C\C(=C(/F)C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c1ccc2ccnc(N)c2c1
InChI Key: InChIKey=FLCBADIIGVYFAJ-OEAKJJBVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50115935 ((E)-3-(1-Amino-isoquinolin-7-yl)-2-fluoro-but-2-en...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity of the compound towards Coagulation factor X | Bioorg Med Chem Lett 12: 2043-6 (2002) BindingDB Entry DOI: 10.7270/Q2PZ584G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50115935 ((E)-3-(1-Amino-isoquinolin-7-yl)-2-fluoro-but-2-en...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Concentration of the compound required for inhibition of trypsin | Bioorg Med Chem Lett 12: 2043-6 (2002) BindingDB Entry DOI: 10.7270/Q2PZ584G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50115935 ((E)-3-(1-Amino-isoquinolin-7-yl)-2-fluoro-but-2-en...) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Concentration required for inhibition of Coagulation factor X | Bioorg Med Chem Lett 12: 2043-6 (2002) BindingDB Entry DOI: 10.7270/Q2PZ584G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50115935 ((E)-3-(1-Amino-isoquinolin-7-yl)-2-fluoro-but-2-en...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Concentration of the compound required for inhibition of Coagulation factor II | Bioorg Med Chem Lett 12: 2043-6 (2002) BindingDB Entry DOI: 10.7270/Q2PZ584G | |||||||||||
More data for this Ligand-Target Pair |