BDBM50432209 BIBR-1048::BIBR-1048-BS-RS1::DABIGATRAN ETEXILATE::Pradaxa
SMILES: CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1
InChI Key: InChIKey=KSGXQBZTULBEEQ-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)) | BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Binding affinity to human thrombin | Bioorg Med Chem Lett 23: 2089-92 (2013) Article DOI: 10.1016/j.bmcl.2013.01.126 BindingDB Entry DOI: 10.7270/Q2HH6MF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay | Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology Curated by ChEMBL | Assay Description Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay | Bioorg Med Chem 24: 73-84 (2016) Article DOI: 10.1016/j.bmc.2015.11.025 BindingDB Entry DOI: 10.7270/Q2X92F8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Oryctolagus cuniculus) | BDBM50432209 (BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 554 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of rabbit thrombin-induced platelet aggregation in rabbit platelet-rich plasma preincubated with rabbit liver microsomes for 4 hrs followe... | Bioorg Med Chem 25: 458-470 (2017) Article DOI: 10.1016/j.bmc.2016.11.012 BindingDB Entry DOI: 10.7270/Q21J9CSQ | |||||||||||
More data for this Ligand-Target Pair |