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BDBM50314225 (R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hydroxybutanamide::CHEMBL1090647

SMILES: CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO

InChI Key: InChIKey=RLHOCYLKSSHKMW-QGZVFWFLSA-N

Data: 9 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50314225   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 196n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 196n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...


Bioorg Med Chem 27: 196-207 (2019)


Article DOI: 10.1016/j.bmc.2018.11.041
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair