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PubMed code 15324896

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50151740
PNG
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151734
PNG
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 12


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151736
PNG
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151741
PNG
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)
Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151738
PNG
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151746
PNG
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151733
PNG
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151740
PNG
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a<3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151744
PNG
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 9


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151731
PNG
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 2


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151747
PNG
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151743
PNG
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151735
PNG
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151748
PNG
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151739
PNG
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151737
PNG
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a<30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151749
PNG
(4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]-3-metho...)
Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)C(=O)NO
Show InChI InChI=1S/C20H22ClNO7S/c1-27-20(19(23)22-24)13-28-11-10-18(20)30(25,26)16-8-6-15(7-9-16)29-12-14-4-2-3-5-17(14)21/h2-9,18,24H,10-13H2,1H3,(H,22,23)/t18-,20-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151733
PNG
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151752
PNG
((3S,4R)-4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NO
Show InChI InChI=1S/C20H21Cl2NO7S/c1-28-20(19(24)23-25)12-29-9-8-18(20)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(21)10-17(13)22/h2-7,10,18,25H,8-9,11-12H2,1H3,(H,23,24)/t18-,20-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151748
PNG
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 3


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151747
PNG
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151749
PNG
(4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]-3-metho...)
Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1)C(=O)NO
Show InChI InChI=1S/C20H22ClNO7S/c1-27-20(19(23)22-24)13-28-11-10-18(20)30(25,26)16-8-6-15(7-9-16)29-12-14-4-2-3-5-17(14)21/h2-9,18,24H,10-13H2,1H3,(H,22,23)/t18-,20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151752
PNG
((3S,4R)-4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CO[C@@]1(COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NO
Show InChI InChI=1S/C20H21Cl2NO7S/c1-28-20(19(24)23-25)12-29-9-8-18(20)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(21)10-17(13)22/h2-7,10,18,25H,8-9,11-12H2,1H3,(H,23,24)/t18-,20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151736
PNG
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151742
PNG
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151743
PNG
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 14


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151737
PNG
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151741
PNG
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)
Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151745
PNG
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151739
PNG
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151750
PNG
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151734
PNG
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151735
PNG
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151744
PNG
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151736
PNG
(3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151746
PNG
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151741
PNG
((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...)
Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151738
PNG
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151750
PNG
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151742
PNG
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151745
PNG
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151731
PNG
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50151740
PNG
((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151734
PNG
((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151733
PNG
((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151731
PNG
(3-Hydroxy-4-(4-o-tolyloxy-benzenesulfonyl)-tetrahy...)
Show SMILES Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO7S/c1-13-4-2-3-5-16(13)27-14-6-8-15(9-7-14)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151738
PNG
(3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1
Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151746
PNG
(4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151742
PNG
((3S,4R)-3-Hydroxy-4-(2''-methyl-biphenyl-4-sulfony...)
Show SMILES Cc1ccccc1-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151748
PNG
(3-Hydroxy-4-[4-(2-methyl-benzyloxy)-benzenesulfony...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C20H23NO7S/c1-14-4-2-3-5-15(14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151743
PNG
((3S,4R)-4-[4-(2,3-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-3-1-2-12(17(15)21)10-29-13-4-6-14(7-5-13)30(26,27)16-8-9-28-11-19(16,24)18(23)22-25/h1-7,16,24-25H,8-11H2,(H,22,23)/t16-,19-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151735
PNG
((3S,4R)-4-[4-(2,4-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c(C)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-16(15(2)11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151744
PNG
((3S,4R)-3-Hydroxy-4-[4-(3-methyl-benzyloxy)-benzen...)
Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C20H23NO7S/c1-14-3-2-4-15(11-14)12-28-16-5-7-17(8-6-16)29(25,26)18-9-10-27-13-20(18,23)19(22)21-24/h2-8,11,18,23-24H,9-10,12-13H2,1H3,(H,21,22)/t18-,20-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151747
PNG
((3S,4R)-4-[4-(2,5-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-1-6-16(21)12(9-13)10-29-14-2-4-15(5-3-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113022
PNG
((2R,4S)-1-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C19H21ClN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151750
PNG
(4-[4-(2,6-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-15-2-1-3-16(21)14(15)10-29-12-4-6-13(7-5-12)30(26,27)17-8-9-28-11-19(17,24)18(23)22-25/h1-7,17,24-25H,8-11H2,(H,22,23)/t17-,19-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151737
PNG
(3-Hydroxy-4-[4-(2-trifluoromethyl-benzyloxy)-benze...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO7S/c21-20(22,23)16-4-2-1-3-13(16)11-31-14-5-7-15(8-6-14)32(28,29)17-9-10-30-12-19(17,26)18(25)24-27/h1-8,17,26-27H,9-12H2,(H,24,25)/t17-,19-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151745
PNG
((3S,4R)-4-[4-(2,6-Dimethyl-benzyloxy)-benzenesulfo...)
Show SMILES Cc1cccc(C)c1COc1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C21H25NO7S/c1-14-4-3-5-15(2)18(14)12-29-16-6-8-17(9-7-16)30(26,27)19-10-11-28-13-21(19,24)20(23)22-25/h3-9,19,24-25H,10-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151739
PNG
(4-[4-(2,5-Dimethyl-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES Cc1ccc(C)c(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1
Show InChI InChI=1S/C21H25NO7S/c1-14-3-4-15(2)16(11-14)12-29-17-5-7-18(8-6-17)30(26,27)19-9-10-28-13-21(19,24)20(23)22-25/h3-8,11,19,24-25H,9-10,12-13H2,1-2H3,(H,22,23)/t19-,21-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%