Target
Interstitial collagenase
Ligand
BDBM50203535
Substrate
n/a
Meas. Tech.
ChEMBL_425538 (CHEMBL911375)
IC50
>5000±n/a nM
Citation
 Yao, WZhuo, JBurns, DMXu, MZhang, CLi, YLQian, DQHe, CWeng, LShi, ELin, QAgrios, CBurn, TCCaulder, ECovington, MBFridman, JSFriedman, SKatiyar, KHollis, GLi, YLiu, CLiu, XMarando, CANewton, RPan, MScherle, PTaylor, NVaddi, KWasserman, ZRWynn, RYeleswaram, SJalluri, RBower, MZhou, BBMetcalf, B Discovery of a potent, selective, and orally active human epidermal growth factor receptor-2 sheddase inhibitor for the treatment of cancer. J Med Chem 50:603-6 (2007) [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:
BDBM50203535
Synonyms:
(6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino[1,2-a]indol-2(1H)-ylcarbonyl)-5-azaspiro[2.5]octane-7-carboxamide | CHEMBL426388
Type:
Small organic molecule
Emp. Form.:
C20H26N4O3
Mol. Mass.:
370.4454
SMILES:
ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Structure:
Search PDB for entries with ligand similarity: