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Target
Interstitial collagenase
Ligand
BDBM50040609
Substrate
n/a
Meas. Tech.
ChEMBL_101733 (CHEMBL709089)
IC50
44±n/a nM
Citation
 Brown, FK; Brown, PJ; Bickett, DM; Chambers, CL; Davies, HG; Deaton, DN; Drewry, D; Foley, M; McElroy, AB; Gregson, M Matrix metalloproteinase inhibitors containing a (carboxyalkyl)amino zinc ligand: modification of the P1 and P2' residues. J Med Chem 37:674-88 (1994) [PubMed]
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:
BDBM50040609
Synonyms:
(R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl)-2-{(S)-3-methyl-1-[(S)-3-methyl-1-(2-morpholin-4-yl-ethylcarbamoyl)-butylcarbamoyl]-butylamino}-butyric acid | CHEMBL161572
Type:
Small organic molecule
Emp. Form.:
C34H47N5O7
Mol. Mass.:
637.7663
SMILES:
CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1
Structure:
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