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Compile Data Set for Download or QSAR

Found 212 hits with Last Name = 'downs' and Initial = 'jt'   
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


(Homo sapiens (Human))
BDBM50224846
PNG
(4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)
Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1
Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224838
PNG
(1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)
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n/an/a 0.0800n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224842
PNG
(1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)
Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224852
PNG
(1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224856
PNG
(1-{6-[4-(1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3...)
Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)nc2)C(=O)N1
Show InChI InChI=1S/C25H20N6O4/c32-22-25(23(33)30-24(34)29-22)12-3-13-31(25)16-8-11-20(26-14-16)35-17-9-6-15(7-10-17)21-27-18-4-1-2-5-19(18)28-21/h1-2,4-11,14H,3,12-13H2,(H,27,28)(H2,29,30,32,33,34)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224847
PNG
(3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)
Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1
Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224837
PNG
(1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)
Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(H2,31,32,34,35,36)
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n/an/a 0.120n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224857
PNG
(1-(6-{4-[4-(2-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)
Show SMILES Fc1ccccc1-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H20FN5O5/c28-20-5-2-1-4-19(20)21-15-37-23(30-21)16-6-9-18(10-7-16)38-22-11-8-17(14-29-22)33-13-3-12-27(33)24(34)31-26(36)32-25(27)35/h1-2,4-11,14-15H,3,12-13H2,(H2,31,32,34,35,36)
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n/an/a 0.160n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194286
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-3-yl)oxazol-...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccnc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H24N4O7/c1-2-36-15-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-18(6-8-20)24-30-23(17-37-24)19-4-3-14-29-16-19/h3-12,14,16-17H,2,13,15H2,1H3,(H2,31,32,33,34,35)
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n/an/a 0.340n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194306
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(3-fluorophenyl)oxazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-18(7-9-21)25-31-24(17-38-25)19-4-3-5-20(30)16-19/h3-13,16-17H,2,14-15H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194306
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(3-fluorophenyl)oxazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-18(7-9-21)25-31-24(17-38-25)19-4-3-5-20(30)16-19/h3-13,16-17H,2,14-15H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.360n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194278
PNG
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3cccnc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C26H24N4O7/c1-2-35-15-13-26(23(32)29-25(34)30-24(26)33)37-21-11-9-20(10-12-21)36-19-7-5-17(6-8-19)22(31)28-18-4-3-14-27-16-18/h3-12,14,16H,2,13,15H2,1H3,(H,28,31)(H2,29,30,32,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194292
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-4-yl)oxazol-...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H24N4O7/c1-2-36-16-13-28(25(33)31-27(35)32-26(28)34)39-22-9-7-21(8-10-22)38-20-5-3-19(4-6-20)24-30-23(17-37-24)18-11-14-29-15-12-18/h3-12,14-15,17H,2,13,16H2,1H3,(H2,31,32,33,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224845
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(6-fluoro-1H-benzo[d]imi...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(F)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H23FN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(H2,31,32,33,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194301
PNG
(4-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-24-13-11-23(12-14-24)40-22-9-7-21(8-10-22)26-32-25(18-39-26)20-5-3-19(17-31)4-6-20/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)
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n/an/a 0.430n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194301
PNG
(4-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-24-13-11-23(12-14-24)40-22-9-7-21(8-10-22)26-32-25(18-39-26)20-5-3-19(17-31)4-6-20/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)
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n/an/a 0.450n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194284
PNG
(5-(4-(4-(4-(3-fluorophenyl)oxazol-2-yl)phenoxy)phe...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H22FN3O7/c1-36-14-13-28(25(33)31-27(35)32-26(28)34)39-22-11-9-21(10-12-22)38-20-7-5-17(6-8-20)24-30-23(16-37-24)18-3-2-4-19(29)15-18/h2-12,15-16H,13-14H2,1H3,(H2,31,32,33,34,35)
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n/an/a 0.460n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224853
PNG
(5-(4-(4-(1H-benzo[d]imidazol-2-yl)phenoxy)phenoxy)...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H24N4O6/c1-2-35-16-15-27(24(32)30-26(34)31-25(27)33)37-20-13-11-19(12-14-20)36-18-9-7-17(8-10-18)23-28-21-5-3-4-6-22(21)29-23/h3-14H,2,15-16H2,1H3,(H,28,29)(H2,30,31,32,33,34)
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n/an/a 0.490n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194304
PNG
(3-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H24N4O7/c1-2-38-15-14-30(27(35)33-29(37)34-28(30)36)41-24-12-10-23(11-13-24)40-22-8-6-20(7-9-22)26-32-25(18-39-26)21-5-3-4-19(16-21)17-31/h3-13,16,18H,2,14-15H2,1H3,(H2,33,34,35,36,37)
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n/an/a 0.520n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194304
PNG
(3-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H24N4O7/c1-2-38-15-14-30(27(35)33-29(37)34-28(30)36)41-24-12-10-23(11-13-24)40-22-8-6-20(7-9-22)26-32-25(18-39-26)21-5-3-4-19(16-21)17-31/h3-13,16,18H,2,14-15H2,1H3,(H2,33,34,35,36,37)
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n/an/a 0.530n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163809
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-5-yl-phe...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cnco3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C24H23N3O7/c1-2-31-12-11-24(21(28)20(25)22(29)27-23(24)30)34-18-9-7-17(8-10-18)33-16-5-3-15(4-6-16)19-13-26-14-32-19/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,27,29,30)
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n/an/a 0.540n/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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194297
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-4-yl)-1,2,4-...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccncc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-13-27(24(33)30-26(35)31-25(27)34)38-21-9-7-20(8-10-21)37-19-5-3-18(4-6-19)23-29-22(32-39-23)17-11-14-28-15-12-17/h3-12,14-15H,2,13,16H2,1H3,(H2,30,31,33,34,35)
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n/an/a 0.540n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194290
PNG
(5-(4-(4-(4-(4-fluorophenyl)oxazol-2-yl)phenoxy)phe...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H22FN3O7/c1-36-15-14-28(25(33)31-27(35)32-26(28)34)39-22-12-10-21(11-13-22)38-20-8-4-18(5-9-20)24-30-23(16-37-24)17-2-6-19(29)7-3-17/h2-13,16H,14-15H2,1H3,(H2,31,32,33,34,35)
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n/an/a 0.570n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224849
PNG
(1-[6-(4-bromo-phenoxy)-pyridin-3-yl]-1,7,9-triaza-...)
Show SMILES Brc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C18H15BrN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224854
PNG
(5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]ba...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50163808
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-{4-[4-(1H-pyrazol-4-y...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cn[nH]c3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C24H24N4O6/c1-2-32-12-11-24(21(29)20(25)22(30)28-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-15(4-6-17)16-13-26-27-14-16/h3-10,13-14,20H,2,11-12,25H2,1H3,(H,26,27)(H,28,30,31)
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n/an/a 0.610n/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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194285
PNG
(3-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H22N4O7/c1-37-14-13-29(26(34)32-28(36)33-27(29)35)40-23-11-9-22(10-12-23)39-21-7-5-19(6-8-21)25-31-24(17-38-25)20-4-2-3-18(15-20)16-30/h2-12,15,17H,13-14H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.630n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194289
PNG
(5-(2-ethoxy-ethyl)-5-(4-{4-[4-(4-fluoro-phenyl)-ox...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-23-13-11-22(12-14-23)39-21-9-5-19(6-10-21)25-31-24(17-38-25)18-3-7-20(30)8-4-18/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.680n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194289
PNG
(5-(2-ethoxy-ethyl)-5-(4-{4-[4-(4-fluoro-phenyl)-ox...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-23-13-11-22(12-14-23)39-21-9-5-19(6-10-21)25-31-24(17-38-25)18-3-7-20(30)8-4-18/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.680n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194293
PNG
(2-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-22-12-10-21(11-13-22)39-20-8-6-18(7-9-20)25-31-24(17-38-25)23-5-3-2-4-19(23)16-30/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.730n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194277
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(5-phenyl-1,2,4-oxadiazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3noc(n3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H24N4O7/c1-2-36-17-16-28(25(33)30-27(35)31-26(28)34)38-22-14-12-21(13-15-22)37-20-10-8-18(9-11-20)23-29-24(39-32-23)19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H2,30,31,33,34,35)
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194279
PNG
(4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-20(7-9-21)25-31-24(17-38-25)19-4-2-18(16-30)3-5-19/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194311
PNG
(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahydropyri...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H25N3O7/c1-2-35-17-16-27(24(32)29-26(34)30-25(27)33)37-22-14-12-21(13-15-22)36-20-10-8-18(9-11-20)23(31)28-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3,(H,28,31)(H2,29,30,32,33,34)
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194294
PNG
(CHEMBL221806 | N-(3-fluorobenzyl)-4-(4-(5-(2-ethox...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3cccc(F)c3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H26FN3O7/c1-2-37-15-14-28(25(34)31-27(36)32-26(28)35)39-23-12-10-22(11-13-23)38-21-8-6-19(7-9-21)24(33)30-17-18-4-3-5-20(29)16-18/h3-13,16H,2,14-15,17H2,1H3,(H,30,33)(H2,31,32,34,35,36)
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n/an/a 0.850n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163807
PNG
(5-Amino-3-[4-(4-bromo-phenoxy)-phenoxy]-3-(2-ethox...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(Br)cc3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C21H21BrN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)
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n/an/a 0.870n/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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163812
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-fluoro-phenoxy)...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C21H21FN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)
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n/an/a 0.870n/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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194299
PNG
(2-(2-(4-(4-(5-(2-ethoxyethyl)-2,4,6-trioxo-hexahyd...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H24N4O7/c1-2-38-16-15-30(27(35)33-29(37)34-28(30)36)41-23-13-11-22(12-14-23)40-21-9-7-19(8-10-21)26-32-25(18-39-26)24-6-4-3-5-20(24)17-31/h3-14,18H,2,15-16H2,1H3,(H2,33,34,35,36,37)
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n/an/a 0.880n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194302
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(2-fluorophenyl)oxazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-21-13-11-20(12-14-21)39-19-9-7-18(8-10-19)25-31-24(17-38-25)22-5-3-4-6-23(22)30/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194302
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(2-fluorophenyl)oxazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H24FN3O7/c1-2-37-16-15-29(26(34)32-28(36)33-27(29)35)40-21-13-11-20(12-14-21)39-19-9-7-18(8-10-19)25-31-24(17-38-25)22-5-3-4-6-23(22)30/h3-14,17H,2,15-16H2,1H3,(H2,32,33,34,35,36)
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163824
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-imidazol-1-yl-p...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-n3ccnc3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C24H24N4O6/c1-2-32-14-11-24(21(29)20(25)22(30)27-23(24)31)34-19-9-7-18(8-10-19)33-17-5-3-16(4-6-17)28-13-12-26-15-28/h3-10,12-13,15,20H,2,11,14,25H2,1H3,(H,27,30,31)
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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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224839
PNG
(5-(4-(4-(6-chloro-1H-benzo[d]imidazol-2-yl)phenoxy...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc4ccc(Cl)cc4[nH]3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H23ClN4O6/c1-2-36-14-13-27(24(33)31-26(35)32-25(27)34)38-20-10-8-19(9-11-20)37-18-6-3-16(4-7-18)23-29-21-12-5-17(28)15-22(21)30-23/h3-12,15H,2,13-14H2,1H3,(H,29,30)(H2,31,32,33,34,35)
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n/an/a 0.960n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163799
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-[1,3,4]oxadiazo...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nnco3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C23H22N4O7/c1-2-31-12-11-23(19(28)18(24)20(29)26-22(23)30)34-17-9-7-16(8-10-17)33-15-5-3-14(4-6-15)21-27-25-13-32-21/h3-10,13,18H,2,11-12,24H2,1H3,(H,26,29,30)
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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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194288
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(4-(pyridin-2-yl)oxazol-...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H24N4O7/c1-2-36-16-14-28(25(33)31-27(35)32-26(28)34)39-21-12-10-20(11-13-21)38-19-8-6-18(7-9-19)24-30-23(17-37-24)22-5-3-4-15-29-22/h3-13,15,17H,2,14,16H2,1H3,(H2,31,32,33,34,35)
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194282
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(3-(pyridin-2-yl)-1,2,4-...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(no3)-c3ccccn3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C27H23N5O7/c1-2-36-16-14-27(24(33)30-26(35)31-25(27)34)38-20-12-10-19(11-13-20)37-18-8-6-17(7-9-18)23-29-22(32-39-23)21-5-3-4-15-28-21/h3-13,15H,2,14,16H2,1H3,(H2,30,31,33,34,35)
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194283
PNG
(CHEMBL221751 | N-(2-fluorobenzyl)-4-(4-(5-(2-ethox...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)C(=O)NCc3ccccc3F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H26FN3O7/c1-2-37-16-15-28(25(34)31-27(36)32-26(28)35)39-22-13-11-21(12-14-22)38-20-9-7-18(8-10-20)24(33)30-17-19-5-3-4-6-23(19)29/h3-14H,2,15-17H2,1H3,(H,30,33)(H2,31,32,34,35,36)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163796
PNG
(5-Amino-3-(2-ethoxy-ethyl)-3-[4-(4-oxazol-2-yl-phe...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C24H23N3O7/c1-2-31-13-11-24(20(28)19(25)21(29)27-23(24)30)34-18-9-7-17(8-10-18)33-16-5-3-15(4-6-16)22-26-12-14-32-22/h3-10,12,14,19H,2,11,13,25H2,1H3,(H,27,29,30)
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n/an/a 1.40n/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 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50163811
PNG
(5-Amino-3-[4-(4-chloro-phenoxy)-phenoxy]-3-(2-etho...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)C(N)C1=O
Show InChI InChI=1S/C21H21ClN2O6/c1-2-28-12-11-21(18(25)17(23)19(26)24-20(21)27)30-16-9-7-15(8-10-16)29-14-5-3-13(22)4-6-14/h3-10,17H,2,11-12,23H2,1H3,(H,24,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 15: 1807-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.038
BindingDB Entry DOI: 10.7270/Q2JH3KPW
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194307
PNG
(5-(4-(4-(4-(2-fluorophenyl)oxazol-2-yl)phenoxy)phe...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccccc3F)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C28H22FN3O7/c1-36-15-14-28(25(33)31-27(35)32-26(28)34)39-20-12-10-19(11-13-20)38-18-8-6-17(7-9-18)24-30-23(16-37-24)21-4-2-3-5-22(21)29/h2-13,16H,14-15H2,1H3,(H2,31,32,33,34,35)
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50224844
PNG
(1-[6-(4-fluoro-phenoxy)-pyridin-3-yl]-1,7,9-triaza...)
Show SMILES Fc1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C18H15FN4O4/c19-11-2-5-13(6-3-11)27-14-7-4-12(10-20-14)23-9-1-8-18(23)15(24)21-17(26)22-16(18)25/h2-7,10H,1,8-9H2,(H2,21,22,24,25,26)
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n/an/a 1.57n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 6529-34 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50194310
PNG
(5-(2-ethoxyethyl)-5-(4-(4-(3-phenylisoxazol-5-yl)p...)
Show SMILES CCOCCC1(Oc2ccc(Oc3ccc(cc3)-c3cc(no3)-c3ccccc3)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H25N3O7/c1-2-36-17-16-29(26(33)30-28(35)31-27(29)34)38-23-14-12-22(13-15-23)37-21-10-8-20(9-11-21)25-18-24(32-39-25)19-6-4-3-5-7-19/h3-15,18H,2,16-17H2,1H3,(H2,30,31,33,34,35)
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Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 5822-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.066
BindingDB Entry DOI: 10.7270/Q27P8Z1R
More data for this
Ligand-Target Pair
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