BDBM50253900 CHEMBL468464::Ethyl 4-({2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl}(pyridin-2-ylmethyl)amino)-4-oxobutanoate acetate
SMILES: CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
InChI Key: InChIKey=RQOLDEOLODYRCM-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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Prothrombin (Homo sapiens (Human)) | BDBM50253900 (CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25 | 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)) | BDBM50253900 (CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.18E+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)) | BDBM50253900 (CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+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 |