Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50035007
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataKi:  8nMAssay Description:Inhibition of human Matrix metalloprotease-9More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataKi:  20nMAssay Description:Inhibition of matrix metalloprotease 2More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataKi:  33nMAssay Description:Inhibition of matrix metalloprotease 1More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataKi:  43nMAssay Description:Inhibition of matrix metalloprotease 3More data for this Ligand-Target Pair