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BDBM50314223 (R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-dioxoisoindolin-2-yl)-N-hydroxybutanamide::CHEMBL1089843

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO

InChI Key: InChIKey=MWMRJYLEVAWDDL-LJQANCHMSA-N

Data: 19 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 19 hits for monomerid = 50314223   
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-9


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 3.5n/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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of constitutive sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human GI-CA-N cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human A2774 cells assessed as inhibition of constitutive sALCAM release by ELISA


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-14


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.30n/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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of constitutive sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of constitutive sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human GI-CA-N cells assessed as inhibition of constitutive sALCAM release by ELISA


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/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 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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 350n/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))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.20n/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
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10 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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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UniChem

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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


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