BDBM50253310 CHEMBL494513::Ethyl 2-benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-ylamino}-3-oxopropanoate trifluoroacetate
SMILES: CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
InChI Key: InChIKey=SCDFUEMRXCQRSO-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50253310 (CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of thrombin (unknown origin) | J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50253310 (CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of factor 10a (unknown origin) | J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb (Homo sapiens (Human)) | BDBM50253310 (CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor | J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ | |||||||||||
More data for this Ligand-Target Pair |