Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50221220
Substrate
n/a
Meas. Tech.
ChEMBL_449533 (CHEMBL899801)
IC50
150±n/a nM
Citation
Wei, J; Pio, BA; Cai, H; Meduna, SP; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Pyrazole-based cathepsin S inhibitors with improved cellular potency. Bioorg Med Chem Lett 17:5525-8 (2007) [PubMed] Article
More Info.:
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Inhibitor
Name:
BDBM50221220
Synonyms:
1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl)-3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol | CHEMBL236073
Type:
Small organic molecule
Emp. Form.:
C28H33BrN6O3S
Mol. Mass.:
613.569
SMILES:
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(Br)cc1