Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50127455
Substrate
n/a
Meas. Tech.
ChEMBL_106136 (CHEMBL718683)
Ki
>4949.0±n/a nM
Citation
 Cherney, RJ; Duan, JJ; Voss, ME; Chen, L; Wang, L; Meyer, DT; Wasserman, ZR; Hardman, KD; Liu, RQ; Covington, MB; Qian, M; Mandlekar, S; Christ, DD; Trzaskos, JM; Newton, RC; Magolda, RL; Wexler, RR; Decicco, CP Design, synthesis, and evaluation of benzothiadiazepine hydroxamates as selective tumor necrosis factor-alpha converting enzyme inhibitors. J Med Chem 46:1811-23 (2003) [PubMed]  Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM50127455
Synonyms:
2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl]-N-hydroxy-3-methyl-butyramide | CHEMBL54292
Type:
Small organic molecule
Emp. Form.:
C24H33N3O7S
Mol. Mass.:
507.6
SMILES:
CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Structure:
Search PDB for entries with ligand similarity: