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PubMed code 9873491

Compile data set for download or QSAR
Found 56 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


(homo sapiens (human))
BDBM50071267
PNG
((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...)
Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071257
PNG
((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071265
PNG
((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071267
PNG
((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...)
Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071268
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071257
PNG
((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071258
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,25+,26-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071268
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071269
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071268
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071269
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071265
PNG
((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071258
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,25+,26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071269
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071259
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071269
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CSCCNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5S/c1-16(2)14-20-19(23(29)27-31)6-4-5-12-32-18-9-7-17(8-10-18)15-21(26-22(20)28)24(30)25-11-13-33-3/h7-10,16,19-21,31H,4-6,11-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071268
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)Nc1ccccn1)cc2)C(=O)NO
Show InChI InChI=1S/C26H34N4O5/c1-17(2)15-21-20(25(32)30-34)7-4-6-14-35-19-11-9-18(10-12-19)16-22(28-24(21)31)26(33)29-23-8-3-5-13-27-23/h3,5,8-13,17,20-22,34H,4,6-7,14-16H2,1-2H3,(H,28,31)(H,30,32)(H,27,29,33)/t20-,21+,22-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071267
PNG
((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...)
Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071265
PNG
((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071262
PNG
((8S,9R,12S)-9-Isobutyl-10-oxo-2-oxa-11-aza-bicyclo...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C23H35N3O5/c1-15(2)13-19-18(22(28)26-30)7-5-4-6-12-31-17-10-8-16(9-11-17)14-20(23(29)24-3)25-21(19)27/h8-11,15,18-20,30H,4-7,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t18-,19+,20-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071259
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071259
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071258
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,25+,26-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50064341
PNG
((6S,7R,10S)-7-Isobutyl-8-oxo-2-oxa-9-aza-bicyclo[1...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C21H31N3O5/c1-13(2)11-17-16(20(26)24-28)5-4-10-29-15-8-6-14(7-9-15)12-18(21(27)22-3)23-19(17)25/h6-9,13,16-18,28H,4-5,10-12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071265
PNG
((7S,8R,11S)-9-Oxo-8-(3-p-tolyl-propyl)-2-oxa-10-az...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3ccc(C)cc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C28H37N3O5/c1-19-9-11-20(12-10-19)6-5-8-23-24(27(33)31-35)7-3-4-17-36-22-15-13-21(14-16-22)18-25(28(34)29-2)30-26(23)32/h9-16,23-25,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t23-,24+,25+/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071259
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCN(C)C)cc2)C(=O)NO
Show InChI InChI=1S/C25H40N4O5/c1-17(2)15-21-20(24(31)28-33)7-5-6-14-34-19-10-8-18(9-11-19)16-22(27-23(21)30)25(32)26-12-13-29(3)4/h8-11,17,20-22,33H,5-7,12-16H2,1-4H3,(H,26,32)(H,27,30)(H,28,31)/t20-,21+,22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071258
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)cc2)C(=O)NO
Show InChI InChI=1S/C29H40N4O7S/c1-19(2)17-25-24(28(35)33-37)5-3-4-16-40-22-10-6-21(7-11-22)18-26(32-27(25)34)29(36)31-15-14-20-8-12-23(13-9-20)41(30,38)39/h6-13,19,24-26,37H,3-5,14-18H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)(H2,30,38,39)/t24-,25+,26-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071267
PNG
((7S,8R,11S)-9-Oxo-8-[2-(4-propyl-phenyl)-ethyl]-2-...)
Show SMILES CCCc1ccc(CC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)NC)cc3)C(=O)NO)cc1
Show InChI InChI=1S/C29H39N3O5/c1-3-6-20-8-10-21(11-9-20)14-17-25-24(28(34)32-36)7-4-5-18-37-23-15-12-22(13-16-23)19-26(29(35)30-2)31-27(25)33/h8-13,15-16,24-26,36H,3-7,14,17-19H2,1-2H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071261
PNG
((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,20-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071261
PNG
((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071257
PNG
((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071257
PNG
((7S,8R,11S)-8-(4-Benzyloxy-butyl)-9-oxo-2-oxa-10-a...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCCOCc3ccccc3)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C29H39N3O6/c1-30-29(35)26-19-21-13-15-23(16-14-21)38-18-8-6-12-25(28(34)32-36)24(27(33)31-26)11-5-7-17-37-20-22-9-3-2-4-10-22/h2-4,9-10,13-16,24-26,36H,5-8,11-12,17-20H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t24-,25+,26+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071260
PNG
((7R,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18-,19+/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071266
PNG
((6S,7R,10S)-7-Isobutyl-10-methylcarbamoyl-8-oxo-2-...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C21H30N2O5/c1-13(2)11-17-16(21(26)27)5-4-10-28-15-8-6-14(7-9-15)12-18(20(25)22-3)23-19(17)24/h6-9,13,16-18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+,18-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071261
PNG
((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,20-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071261
PNG
((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,20-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50071266
PNG
((6S,7R,10S)-7-Isobutyl-10-methylcarbamoyl-8-oxo-2-...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C21H30N2O5/c1-13(2)11-17-16(21(26)27)5-4-10-28-15-8-6-14(7-9-15)12-18(20(25)22-3)23-19(17)24/h6-9,13,16-18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+,18-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071266
PNG
((6S,7R,10S)-7-Isobutyl-10-methylcarbamoyl-8-oxo-2-...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C21H30N2O5/c1-13(2)11-17-16(21(26)27)5-4-10-28-15-8-6-14(7-9-15)12-18(20(25)22-3)23-19(17)24/h6-9,13,16-18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50071266
PNG
((6S,7R,10S)-7-Isobutyl-10-methylcarbamoyl-8-oxo-2-...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2
Show InChI InChI=1S/C21H30N2O5/c1-13(2)11-17-16(21(26)27)5-4-10-28-15-8-6-14(7-9-15)12-18(20(25)22-3)23-19(17)24/h6-9,13,16-18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t16-,17+,18-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%