Reaction Details Report a problem with these data
Target
Neutrophil collagenase
Ligand
BDBM50077422
Substrate
n/a
Meas. Tech.
ChEMBL_105812 (CHEMBL717812)
IC50
2±n/a nM
Citation
 Matter, H; Schwab, W; Barbier, D; Billen, G; Haase, B; Neises, B; Schudok, M; Thorwart, W; Schreuder, H; Brachvogel, V; Lönze, P; Weithmann, KU Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis. J Med Chem 42:1908-20 (1999) [PubMed]  Article 
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:
BDBM50077422
Synonyms:
(R)-2-(5-Pyridin-2-yl-thiophen-2-ylmethanesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydroxyamide | CHEMBL56909
Type:
Small organic molecule
Emp. Form.:
C20H19N3O4S2
Mol. Mass.:
429.513
SMILES:
ONC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(s1)-c1ccccn1
Structure:
Search PDB for entries with ligand similarity: