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BDBM50098263 2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-pent-4-ynoic acid::CHEMBL10454

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O

InChI Key: InChIKey=UXURFMZZZWZYFW-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50098263   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 21n/an/an/an/a7.4n/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-13 in quenched fluorescence assay at pH 7.4

J Med Chem 44: 1060-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RN374T
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 2.00E+3n/an/an/an/a7.4n/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-1 in quenched fluorescence assay at pH 7.4

J Med Chem 44: 1060-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RN374T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 12n/an/an/an/a7.4n/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2) in quenched fluorescence assay at pH 7.4

J Med Chem 44: 1060-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RN374T
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 2.28E+3n/an/an/an/a7.4n/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-3 (MMP-3) (at pH 7.4)

J Med Chem 44: 1060-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RN374T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 21n/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
Collagenase 3


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 20.9n/an/an/an/an/an/a



gvk bioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human matrix metalloprotease-13

Bioorg Med Chem Lett 12: 2689-93 (2002)


BindingDB Entry DOI: 10.7270/Q2C24XK1
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 9.40n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 553n/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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 12.5n/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))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 1.96E+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-7 (MMP7)


(Homo sapiens (Human))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a>1.00E+4n/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))		BDBM50098263
PNG
(2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)
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n/an/a 2.28E+3n/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