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SMILES: COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O

InChI Key: InChIKey=BLYHHTXBRXLLOI-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 7 hits for monomerid = 50102469   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 1n/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
Matrilysin


(Homo sapiens (Human))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 3.64E+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))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 86.1n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 18.7n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 3.31E+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
Collagenase 3


(Homo sapiens (Human))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 3n/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))
BDBM50102469
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)
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n/an/a 3.20n/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