Reaction Details Report a problem with these data
Target
Matrilysin
Ligand
BDBM50064789
Substrate
n/a
Meas. Tech.
ChEMBL_104909 (CHEMBL713445)
IC50
>40000±n/a nM
Citation
 Szardenings, AK; Harris, D; Lam, S; Shi, L; Tien, D; Wang, Y; Patel, DV; Navre, M; Campbell, DA Rational design and combinatorial evaluation of enzyme inhibitor scaffolds: identification of novel inhibitors of matrix metalloproteinases. J Med Chem 41:2194-200 (1998) [PubMed]  Article 
Target
Name:
Matrilysin
Synonyms:
MMP7 | MMP7_HUMAN | MPSL1 | Matrix metalloproteinase 7 | Matrix metalloproteinase-7 (MMP-7) | Matrix metalloproteinase-7 (MMP7) | PUMP1
Type:
Enzyme
Mol. Mass.:
29681.54
Organism:
Homo sapiens (Human)
Description:
P09237
Residue:
267
Sequence:
MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK
  
Inhibitor
Name:
BDBM50064789
Synonyms:
(3S,6R)-1,6-Bis-cyclohexylmethyl-3-mercaptomethyl-piperazine-2,5-dione | CHEMBL71120
Type:
Small organic molecule
Emp. Form.:
C19H32N2O2S
Mol. Mass.:
352.535
SMILES:
SC[C@H]1NC(=O)[C@@H](CC2CCCCC2)N(CC2CCCCC2)C1=O
Structure:
Search PDB for entries with ligand similarity: