Reaction Details |
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Target | Interstitial collagenase |
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Ligand | BDBM50128639 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_106291 (CHEMBL714547) |
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IC50 | 3670±n/a nM |
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Citation | Aranapakam, V; Davis, JM; Grosu, GT; Baker, J; Ellingboe, J; Zask, A; Levin, JI; Sandanayaka, VP; Du, M; Skotnicki, JS; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R; Tillett, J; Zhao, W; McDevitt, J; Xu, ZB Synthesis and structure-activity relationship of N-substituted 4-arylsulfonylpiperidine-4-hydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem46:2376-96 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Interstitial collagenase |
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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: | MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPV
VEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIEN
YTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGN
LAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSY
TFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDR
FYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGY
PKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFP
GIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
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BDBM50128639 |
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n/a |
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Name | BDBM50128639 |
Synonyms: | 1-(3,4-dichlorobenzyl)-4-(4-butoxyphenylsulfonyl)-N-hydroxypiperidine-4-carboxamide | 4-(4-Butoxy-benzenesulfonyl)-1-(3,4-dichloro-benzyl)-piperidine-4-carboxylic acid hydroxyamide | CHEMBL78934 |
Type | Small organic molecule |
Emp. Form. | C23H28Cl2N2O5S |
Mol. Mass. | 515.45 |
SMILES | CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO |
Structure |
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