BDBM18042 N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]benzamide::diaminopyrimidine renin inhibitor compound, 10
SMILES: CCc1nc(N)nc(NCCNC(=O)c2ccccc2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
InChI Key: InChIKey=ZIDHSCRCIUQUIX-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM18042 (N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...) | Renin (Homo sapiens (Human)) | PC cid PC sid | DrugBank GoogleScholar KEGG PDB | -8.28 | -5.69 | -2.59 | 6.02 | 7 | 28 | |
Pfizer | Anal Biochem 360: 30-40 (2007) |