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BDBM50173225 (S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL427366

SMILES: CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O

InChI Key: InChIKey=USIMDPVZFWUXPH-VWLOTQADSA-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 = 50173225   
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-14 (MMP14)


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-14

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Aggrecanase 1

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 458n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-7

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 2.34E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-1

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP14

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))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 492n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-3

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-8

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-13

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50173225
PNG
((S)-2-{4'-[(5-ethyl-4-hydroxy-3-methyl-benzofuran-...)
Show SMILES CCc1ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c2c1O
Show InChI InChI=1S/C29H30N2O7S/c1-5-18-10-15-23-24(26(18)32)17(4)27(38-23)28(33)30-21-11-6-19(7-12-21)20-8-13-22(14-9-20)39(36,37)31-25(16(2)3)29(34)35/h6-16,25,31-32H,5H2,1-4H3,(H,30,33)(H,34,35)/t25-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MMP-2

Bioorg Med Chem Lett 15: 4961-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.001
BindingDB Entry DOI: 10.7270/Q20Z72TH
More data for this
Ligand-Target Pair