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SMILES: COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O

InChI Key: InChIKey=YUWSFQQPCKKPJG-UHFFFAOYSA-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 14 hits for monomerid = 50102477   
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
Matrilysin


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 4.11E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-7

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 133n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-7

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-2

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-8

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 3.5n/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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 2.59E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-13

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-8

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 3.40n/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))		BDBM50102477
PNG
(4-[Carboxy-(4'-methoxy-biphenyl-4-sulfonylamino)-m...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C24H30N2O8S/c1-32-15-16-34-24(29)26-13-11-19(12-14-26)22(23(27)28)25-35(30,31)21-9-5-18(6-10-21)17-3-7-20(33-2)8-4-17/h3-10,19,22,25H,11-16H2,1-2H3,(H,27,28)
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n/an/a 13.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3

J Med Chem 44: 2499-502 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89D47
More data for this
Ligand-Target Pair