Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM225141
Substrate
BDBM225228
Meas. Tech.
Inhibition Assay
IC50
2.9±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:
BDBM225141
Synonyms:
US9328118, 42
Type:
Small organic molecule
Emp. Form.:
C24H25F3N6O2
Mol. Mass.:
486.4895
SMILES:
CCOc1ccc(cc1C(F)(F)F)-c1nc(nc2n(CC(=O)NC3CCN(C)CC3)ccc12)C#N