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BDBM50102478 4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-methoxy-ethyl)-amino]-methyl}-piperidine-1-carboxylic acid 2-methoxy-ethyl ester::CHEMBL315114

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

InChI Key: InChIKey=IIBGHLQTRXDEKI-UHFFFAOYSA-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 = 50102478   
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-7 (MMP7)


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 2.65E+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
Collagenase 3


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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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-13


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))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 45.5n/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))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 9.10n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 2.40n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 0.600n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 1.22E+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))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 1n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50102478
PNG
(4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-(2-me...)
Show SMILES COCCOC(=O)N1CCC(CC1)C(N(CCOC)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C27H36N2O9S/c1-35-17-16-29(25(26(30)31)22-12-14-28(15-13-22)27(32)38-19-18-36-2)39(33,34)24-10-6-21(7-11-24)20-4-8-23(37-3)9-5-20/h4-11,22,25H,12-19H2,1-3H3,(H,30,31)
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n/an/a 2.40n/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