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Target
Cathepsin S
Ligand
BDBM50152989
Substrate
n/a
Meas. Tech.
ChEBML_305074
IC50
20±n/a nM
Citation
 Gustin, DJ; Sehon, CA; Wei, J; Cai, H; Meduna, SP; Khatuya, H; Sun, S; Gu, Y; Jiang, W; Thurmond, RL; Karlsson, L; Edwards, JP Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett 15:1687-91 (2005) [PubMed]  Article 
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:
BDBM50152989
Synonyms:
3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-1-(4-(2-cyanophenyl)piperazin-1-yl)propan-2-yl carbamate | CHEMBL178194 | Carbamic acid 1-[5-carbamoyl-3-(4-iodo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-ylmethyl]-2-[4-(2-cyano-phenyl)-piperazin-1-yl]-ethyl ester | Carbamic acid 2-[5-carbamoyl-3-(4-iodo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-1-[4-(2-cyano-phenyl)-piperazin-1-ylmethyl]-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C28H31IN8O3
Mol. Mass.:
654.502
SMILES:
NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1
Structure:
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