Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM225176
Substrate
BDBM225228
Meas. Tech.
Inhibition Assay
IC50
2.1±n/a nM
Citation
Nakajima, Y; Imada, S; Takasuna, Y; Aoyama, N; Nigawara, T; Shirakami, S; Shirai, F; Sato, J; Nakanishi, K; Kubo, K Nitrogen-containing bicyclic aromatic heterocyclic compound US Patent US9328118 Publication Date 5/3/2016
More Info.:
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Inhibitor
Name:
BDBM225176
Synonyms:
US9328118, 93
Type:
Small organic molecule
Emp. Form.:
C25H25F3N6O2
Mol. Mass.:
498.5002
SMILES:
CN1CCC[C@H]1C(=O)N1CC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)C1 |r|