Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50167490
Substrate
n/a
Meas. Tech.
ChEMBL_302345 (CHEMBL828929)
Ki
>4950±n/a nM
Citation
 Duan, JJ; Lu, Z; Wasserman, ZR; Liu, RQ; Covington, MB; Decicco, CP Non-hydroxamate 5-phenylpyrimidine-2,4,6-trione derivatives as selective inhibitors of tumor necrosis factor-alpha converting enzyme. Bioorg Med Chem Lett 15:2970-3 (2005) [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:
BDBM50167490
Synonyms:
4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,4,6-trioxo-hexahydro-pyrimidin-5-yl}-piperazine-1-carboxylic acid tert-butyl ester | CHEMBL365386
Type:
Small organic molecule
Emp. Form.:
C30H33N5O6
Mol. Mass.:
559.6129
SMILES:
Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1
Structure:
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