BDBM13891 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium::3-amidinobenzylindole carboxamide 76
SMILES: C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
InChI Key: InChIKey=MFLDBKOULWSBTE-UHFFFAOYSA-O
Data: 1 KI
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM13891 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH | Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s... | J Med Chem 45: 2749-69 (2002) Article DOI: 10.1021/jm0111346 BindingDB Entry DOI: 10.7270/Q27H1GTW | |||||||||||
More data for this Ligand-Target Pair |