Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50100938
Substrate
n/a
Meas. Tech.
ChEBML_106109
IC50
>10000±n/a nM
Citation
Curtin, ML; Florjancic, AS; Heyman, HR; Michaelides, MR; Garland, RB; Holms, JH; Steinman, DH; Dellaria, JF; Gong, J; Wada, CK; Guo, Y; Elmore, IB; Tapang, P; Albert, DH; Magoc, TJ; Marcotte, PA; Bouska, JJ; Goodfellow, CL; Bauch, JL; Marsh, KC; Morgan, DW; Davidsen, SK Discovery and characterization of the potent, selective and orally bioavailable MMP inhibitor ABT-770. Bioorg Med Chem Lett 11:1557-60 (2001) [PubMed] Article
More Info.:
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:
BDBM50100938
Synonyms:
CHEMBL42970 | N-[1-(4'-Butyl-biphenyl-4-yloxymethyl)-2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-ethyl]-N-hydroxy-formamide
Type:
Small organic molecule
Emp. Form.:
C25H31N3O5
Mol. Mass.:
453.5307
SMILES:
CCCCc1ccc(cc1)-c1ccc(OCC(CN2C(=O)NC(C)(C)C2=O)N(O)C=O)cc1