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SMILES: COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO

InChI Key: InChIKey=GWEITLSXCOXESW-RTWAWAEBSA-N

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 = 50081866   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Strom-1 MMP-3


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HNC MMP-8


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Coll-3 MMP-13


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 95n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Gel-A MMP-2


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50081866
PNG
((2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-2-((4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H35N3O7S/c1-25(34(30,31)19-9-7-18(32-2)8-10-19)16-21(22(27)24-29)20(15-17-5-3-4-6-17)23(28)26-11-13-33-14-12-26/h7-10,17,20-21,29H,3-6,11-16H2,1-2H3,(H,24,27)/t20-,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)


BindingDB Entry DOI: 10.7270/Q25H7FGN
More data for this
Ligand-Target Pair