BDBM50083563 1-{4-[5-amino(imino)methylaminobenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-[4-(2-{4-[5-amino(imino)methylaminobenzo[b]furan-2-ylcarbonyl]hexahydro-1-pyrazinyl}-2-oxoethoxy)phenoxy]-1-ethanone::CHEMBL111400
SMILES: [#7]\[#6](-[#7])=[#7]/c1ccc2oc(cc2c1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#8]-c1ccc(-[#8]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-c2cc3cc(ccc3o2)\[#7]=[#6](/[#7])-[#7])cc1
InChI Key: InChIKey=RNOSLBKUOATLNM-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tryptase (Homo sapiens (Human)) | BDBM50083563 (1-{4-[5-amino(imino)methylaminobenzo[b]furan-2-ylc...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD. Curated by ChEMBL | Assay Description Inhibition of tryptase activity | Bioorg Med Chem Lett 9: 3285-90 (2000) BindingDB Entry DOI: 10.7270/Q2TX3DK3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50083563 (1-{4-[5-amino(imino)methylaminobenzo[b]furan-2-ylc...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yoshitomi Pharmaceutical Industries, LTD. Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 9: 3285-90 (2000) BindingDB Entry DOI: 10.7270/Q2TX3DK3 | |||||||||||
More data for this Ligand-Target Pair |