| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Renin |
|---|
| Ligand | BDBM18010 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1704429 (CHEMBL4055662) |
|---|
| IC50 | 141±n/a nM |
|---|
| Citation |  Cloudsdale, IS; Dickson, JK; Barta, TE; Grella, BS; Smith, ED; Kulp, JL; Guarnieri, F; Kulp, JL Design, synthesis and biological evaluation of renin inhibitors guided by simulated annealing of chemical potential simulations. Bioorg Med Chem25:3947-3963 (2017) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Renin |
|---|
| Name: | Renin |
|---|
| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 45058.99 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | n/a |
|---|
| Residue: | 406 |
|---|
| Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
|
|
|
|---|
| BDBM18010 |
|---|
| n/a |
|---|
| Name | BDBM18010 |
|---|
| Synonyms: | 1,4-benzoxazin-3-one, rac-47 | 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-2-methyl-4-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H24F5N5O2 |
|---|
| Mol. Mass. | 521.4824 |
|---|
| SMILES | CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 |
|---|
| Structure | 
|
|---|
Search and Browse
