Reaction Details Report a problem with these data
Target
Neutrophil collagenase
Ligand
BDBM50128648
Substrate
n/a
Meas. Tech.
ChEMBL_105207 (CHEMBL713846)
IC50
1±n/a nM
Citation
Aranapakam, V; Davis, JM; Grosu, GT; Baker, J; Ellingboe, J; Zask, A; Levin, JI; Sandanayaka, VP; Du, M; Skotnicki, JS; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R; Tillett, J; Zhao, W; McDevitt, J; Xu, ZB Synthesis and structure-activity relationship of N-substituted 4-arylsulfonylpiperidine-4-hydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem 46:2376-96 (2003) [PubMed] Article
More Info.:
Target
Name:
Neutrophil collagenase
Synonyms:
CLG1 | MMP-8 | MMP8 | MMP8_HUMAN | Matrix metalloproteinase-8 | Neutrophil collagenase precursor | PMNL collagenase | PMNL-CL
Type:
Enzyme
Mol. Mass.:
53413.48
Organism:
Homo sapiens (Human)
Description:
P22894
Residue:
467
Sequence:
MFSLKTLPFLLLLHVQISKAFPVSSKEKNTKTVQDYLEKFYQLPSNQYQSTRKNGTNVIVEKLKEMQRFFGLNVTGKPNEETLDMMKKPRCGVPDSGGFMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYGLSSNPIQPTGPSTPKPCDPSLTFDAITTLRGEILFFKDRYFWRRHPQLQRVEMNFISLFWPSLPTGIQAAYEDFDRDLIFLFKGNQYWALSGYDILQGYPKDISNYGFPSSVQAIDAAVFYRSKTYFFVNDQFWRYDNQRQFMEPGYPKSISGAFPGIESKVDAVFQQEHFFHVFSGPRYYAFDLIAQRVTRVARGNKWLNCRYG
Inhibitor
Name:
BDBM50128648
Synonyms:
1-Benzyl-4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-piperidine-4-carboxylic acid hydroxyamide | 1-benzyl-4-(4-(4-chlorophenoxy)phenylsulfonyl)-N-hydroxypiperidine-4-carboxamide | CHEMBL79433
Type:
Small organic molecule
Emp. Form.:
C25H25ClN2O5S
Mol. Mass.:
500.994
SMILES:
ONC(=O)C1(CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1