BDBM32657 benzamidine- based compound, 6
SMILES: N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N
InChI Key: InChIKey=ODAPDZPYLPTJOD-XSWBTSGESA-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)) | BDBM32657 (benzamidine- based compound, 6) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.100 | -13.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Philipps-University Marburg | Assay Description Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed... | J Mol Biol 391: 552-64 (2009) Article DOI: 10.1016/j.jmb.2009.06.016 BindingDB Entry DOI: 10.7270/Q2RV0M1Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Thrombin (Homo sapiens (Human)) | BDBM32657 (benzamidine- based compound, 6) | GoogleScholar PDB | PC cid PC sid PDB | -11.6 | -0.214 | -11.3 | n/a | 7.80 | 25 | |
Philipps-University Marburg | J Mol Biol 391: 552-64 (2009) | |||||||||
Thrombin (Homo sapiens (Human)) | BDBM32657 (benzamidine- based compound, 6) | GoogleScholar PDB | PC cid PC sid PDB | -11.3 | -0.812 | -10.5 | n/a | 7.80 | 25 | |
Philipps-University Marburg | J Mol Biol 391: 552-64 (2009) | |||||||||
Thrombin (Homo sapiens (Human)) | BDBM32657 (benzamidine- based compound, 6) | GoogleScholar PDB | PC cid PC sid PDB | -12.5 | -1.64 | -10.8 | n/a | 7.80 | 25 | |
Philipps-University Marburg | J Mol Biol 391: 552-64 (2009) | |||||||||
Thrombin (Homo sapiens (Human)) | BDBM32657 (benzamidine- based compound, 6) | GoogleScholar PDB | PC cid PC sid PDB | -11.1 | -1.36 | -9.74 | n/a | 7.80 | 25 | |
Philipps-University Marburg | J Mol Biol 391: 552-64 (2009) |