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Target
72 kDa type IV collagenase
Ligand
BDBM50453823
Substrate
n/a
Meas. Tech.
ChEMBL_1751374 (CHEMBL4186134)
IC50
1000±n/a nM
Citation
 Boiteau, JG; Ouvry, G; Arlabosse, JM; Astri, S; Beillard, A; Bhurruth-Alcor, Y; Bonnary, L; Bouix-Peter, C; Bouquet, K; Bourotte, M; Cardinaud, I; Comino, C; Deprez, B; Duvert, D; Féret, A; Hacini-Rachinel, F; Harris, CS; Luzy, AP; Mathieu, A; Millois, C; Orsini, N; Pascau, J; Pinto, A; Piwnica, D; Polge, G; Reitz, A; Reversé, K; Rodeville, N; Rossio, P; Spiesse, D; Tabet, S; Taquet, N; Tomas, L; Vial, E; Hennequin, LF Discovery and process development of a novel TACE inhibitor for the topical treatment of psoriasis. Bioorg Med Chem 26:945-956 (2018) [PubMed]  Article 
Target
Name:
72 kDa type IV collagenase
Synonyms:
72 kDa gelatinase | 72 kDa type IV collagenase precursor | CLG4A | Gelatinase A | Gelatinase A (MMP-2) | MMP2 | MMP2_HUMAN | Matrix metalloproteinase-2 | Matrix metalloproteinase-2 (MMP 2) | Matrix metalloproteinase-2 (MMP2) | Matrix metalloproteinases 2 (MMP-2) | TBE-1
Type:
Enzyme
Mol. Mass.:
73870.36
Organism:
Homo sapiens (Human)
Description:
P08253
Residue:
660
Sequence:
MEALMARGALTGPLRALCLLGCLLSHAAAAPSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKFFGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADGEYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALFTMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYGFCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTANYDDDRKWGFCPDQGYSLFLVAAHEFGHAMGLEHSQDPGALMAPIYTYTKNFRLSQDDIKGIQELYGASPDIDLGTGPTPTLGPVTPEICKQDIVFDGIAQIRGEIFFFKDRFIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYWIYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRYNEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLENQSLKSVKFGSIKSDWLGC
  
Inhibitor
Name:
BDBM50453823
Synonyms:
CHEMBL4208519 | US10556883, Compound 19d
Type:
Small organic molecule
Emp. Form.:
C27H32N4O6S
Mol. Mass.:
540.631
SMILES:
CC(C)CC(=O)N1CC(C1)(N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Structure:
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