BDBM8465 (2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide::BMCL16311 Compound 1a::CGS 27023::CGS 27023A::CHEMBL514138::hydroxamate analogue 1

SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO

InChI Key InChIKey=BSIZUMJRKYHEBR-QGZVFWFLSA-N

Data  33 KI  138 IC50  2 Kd  1 Other

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 173 hits for monomerid = 8465   

TargetCollagenase 3(Homo sapiens (Human))
Novartis

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:  1.27nM ΔG°:  -12.0kcal/mole IC50: 1.90nMpH: 7.5 T: 2°CAssay Description:Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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:Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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 matrix metalloprotease-9 (MMP-9).Checked by AuthorMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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 active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 flu...More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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 recombinant MMP9More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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 truncated gelatinase B (Matrix metalloprotease-9)More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 gelatinase-A (Matrix metalloprotease-2)More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 flu...More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human recombinant MMP2More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human matrix metalloprotease 2More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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-2 (MMP-2).Checked by AuthorMore data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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:Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human matrix metalloprotease 1More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 truncated collagenase-1 (Matrix metalloprotease-1)More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human recombinant MMP1More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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:Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human matrix metalloprotease-1More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 collagenase-1 (Matrix metalloprotease-1)More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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-1 (MMP-1).Checked by AuthorMore data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human matrix metalloprotease-3More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 human recombinant MMP3More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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:Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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-3 (MMP-3).Checked by AuthorMore data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 truncated stromelysin (Matrix metalloprotease-3)More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Pisa

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:  7.80E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Pisa

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:  8.60E+3nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Pisa

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:  2.81E+5nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration methodMore data for this Ligand-Target Pair
TargetLethal factor(Bacillus anthracis)
Merck Research Laboratories

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 DataIC50: 1.20E+3nMpH: 7.0 T: 2°CAssay Description:The assay was performed in a 96-well plate, each well contained substrate peptide, LF, and the test compound. The C-terminally fluorophore of substra...More data for this Ligand-Target Pair
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 DatapH: 7.5 T: 2°CAssay Description:The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 DataIC50: 42nMT: 2°CAssay Description:Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...More data for this Ligand-Target Pair
TargetStromelysin-1(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 DataIC50: 19nMT: 2°CAssay Description:Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Novartis Pharmaceuticals

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 DataIC50: 6.80nMT: 2°CAssay Description:Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 DataIC50: 9.10nMAssay Description:Inhibition of human matrix metalloprotease 2More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Procter and Gamble Pharmaceuticals

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 DataIC50: 50nMAssay Description:Inhibition of human matrix metalloprotease 1More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 380nMAssay Description:Inhibition of ADAM17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 1.40E+3nMAssay Description:Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of constitutive sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 1.30E+4nMAssay Description:Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of constitutive sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 110nMAssay Description:Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 750nMAssay Description:Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 750nMAssay Description:Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of EGF-induced sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 4.40E+3nMAssay Description:Inhibition of ADAM17 in human GI-CA-N cells assessed as inhibition of constitutive sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 23nMAssay Description:Inhibition of human recombinant MMP14 by fluorometric assayMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 1.80E+4nMAssay Description:Inhibition of ADAM17 in human A2774 cells assessed as inhibition of constitutive sALCAM release by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Universit£ di Pisa

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 DataIC50: 160nMAssay Description:Inhibition of human recombinant ADAM17 by fluorometric assayMore data for this Ligand-Target Pair
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