BDBM776 benzamidine deriv.::isopropylbenzamidinium chloride::{amino[4-(propan-2-yl)phenyl]methylidene}azanium
SMILES: CC(C)c1ccc(cc1)C(N)=[NH2+]
InChI Key: InChIKey=GIJOFUJDYGKZGG-UHFFFAOYSA-O
Data: 4 ITC
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 |
---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM776 (benzamidine deriv. | isopropylbenzamidinium chlori...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -5.45 | -3.35 | -2.15 | 3.92 | 8 | 30 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) | |||||||||
Trypsin (Bos taurus (bovine)) | BDBM776 (benzamidine deriv. | isopropylbenzamidinium chlori...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -5.42 | -2.63 | -2.87 | 3.82 | 8 | 37 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) | |||||||||
Trypsin (Bos taurus (bovine)) | BDBM776 (benzamidine deriv. | isopropylbenzamidinium chlori...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -5.40 | -4.30 | -1.17 | 4.04 | 8 | 20 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) | |||||||||
Trypsin (Bos taurus (bovine)) | BDBM776 (benzamidine deriv. | isopropylbenzamidinium chlori...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid | -5.42 | -3.82 | -1.67 | 3.98 | 8 | 25 | |
University of Groningen | J Am Chem Soc 125: 10570-9 (2003) |