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PubMed code 9873367

Compile data set for download or QSAR
Found 39 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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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 Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070452
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C19H35N3O4/c1-9-10-19(7,17(25)22-26)13(11-12(2)3)15(23)21-14(16(24)20-8)18(4,5)6/h9,12-14,26H,1,10-11H2,2-8H3,(H,20,24)(H,21,23)(H,22,25)/t13-,14+,19-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070452
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C19H35N3O4/c1-9-10-19(7,17(25)22-26)13(11-12(2)3)15(23)21-14(16(24)20-8)18(4,5)6/h9,12-14,26H,1,10-11H2,2-8H3,(H,20,24)(H,21,23)(H,22,25)/t13-,14+,19-/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 matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070460
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,22-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070460
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,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 Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070461
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-phenylcar...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H37N3O4/c1-8-14-24(7,22(30)27-31)18(15-16(2)3)20(28)26-19(23(4,5)6)21(29)25-17-12-10-9-11-13-17/h8-13,16,18-19,31H,1,14-15H2,2-7H3,(H,25,29)(H,26,28)(H,27,30)/t18-,19+,24-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070462
PNG
((2S,3R)-2-Allyl-N*4*-{(S)-2-cyclohexyl-1-[2-(4-sul...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H46N4O6S/c1-5-16-29(4,28(36)33-37)24(18-20(2)3)26(34)32-25(19-22-9-7-6-8-10-22)27(35)31-17-15-21-11-13-23(14-12-21)40(30,38)39/h5,11-14,20,22,24-25,37H,1,6-10,15-19H2,2-4H3,(H,31,35)(H,32,34)(H,33,36)(H2,30,38,39)/t24-,25-,29-/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 matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (human))
BDBM50070453
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17+,18-/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 Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070462
PNG
((2S,3R)-2-Allyl-N*4*-{(S)-2-cyclohexyl-1-[2-(4-sul...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H46N4O6S/c1-5-16-29(4,28(36)33-37)24(18-20(2)3)26(34)32-25(19-22-9-7-6-8-10-22)27(35)31-17-15-21-11-13-23(14-12-21)40(30,38)39/h5,11-14,20,22,24-25,37H,1,6-10,15-19H2,2-4H3,(H,31,35)(H,32,34)(H,33,36)(H2,30,38,39)/t24-,25-,29-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070462
PNG
((2S,3R)-2-Allyl-N*4*-{(S)-2-cyclohexyl-1-[2-(4-sul...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H46N4O6S/c1-5-16-29(4,28(36)33-37)24(18-20(2)3)26(34)32-25(19-22-9-7-6-8-10-22)27(35)31-17-15-21-11-13-23(14-12-21)40(30,38)39/h5,11-14,20,22,24-25,37H,1,6-10,15-19H2,2-4H3,(H,31,35)(H,32,34)(H,33,36)(H2,30,38,39)/t24-,25-,29-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070460
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,22-/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 Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070463
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17-,18+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070463
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17-,18+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070461
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-phenylcar...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H37N3O4/c1-8-14-24(7,22(30)27-31)18(15-16(2)3)20(28)26-19(23(4,5)6)21(29)25-17-12-10-9-11-13-17/h8-13,16,18-19,31H,1,14-15H2,2-7H3,(H,25,29)(H,26,28)(H,27,30)/t18-,19+,24-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070459
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,22+/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070456
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C27H35N3O4/c1-5-16-27(4,26(33)30-34)22(17-19(2)3)24(31)29-23(18-20-12-8-6-9-13-20)25(32)28-21-14-10-7-11-15-21/h5-15,19,22-23,34H,1,16-18H2,2-4H3,(H,28,32)(H,29,31)(H,30,33)/t22-,23-,27-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070463
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@H](CC=C)C(=O)NO
Show InChI InChI=1S/C21H31N3O4/c1-5-9-16(20(26)24-28)17(12-14(2)3)19(25)23-18(21(27)22-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,28H,1,9,12-13H2,2-4H3,(H,22,27)(H,23,25)(H,24,26)/t16-,17-,18+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070451
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2-cyclohexyl-1-phenethyl...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H45N3O4/c1-5-17-29(4,28(35)32-36)24(19-21(2)3)26(33)31-25(20-23-14-10-7-11-15-23)27(34)30-18-16-22-12-8-6-9-13-22/h5-6,8-9,12-13,21,23-25,36H,1,7,10-11,14-20H2,2-4H3,(H,30,34)(H,31,33)(H,32,35)/t24-,25-,29-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070459
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,22+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070456
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C27H35N3O4/c1-5-16-27(4,26(33)30-34)22(17-19(2)3)24(31)29-23(18-20-12-8-6-9-13-20)25(32)28-21-14-10-7-11-15-21/h5-15,19,22-23,34H,1,16-18H2,2-4H3,(H,28,32)(H,29,31)(H,30,33)/t22-,23-,27-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070461
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-phenylcar...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H37N3O4/c1-8-14-24(7,22(30)27-31)18(15-16(2)3)20(28)26-19(23(4,5)6)21(29)25-17-12-10-9-11-13-17/h8-13,16,18-19,31H,1,14-15H2,2-7H3,(H,25,29)(H,26,28)(H,27,30)/t18-,19+,24-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070451
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2-cyclohexyl-1-phenethyl...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H45N3O4/c1-5-17-29(4,28(35)32-36)24(19-21(2)3)26(33)31-25(20-23-14-10-7-11-15-23)27(34)30-18-16-22-12-8-6-9-13-22/h5-6,8-9,12-13,21,23-25,36H,1,7,10-11,14-20H2,2-4H3,(H,30,34)(H,31,33)(H,32,35)/t24-,25-,29-/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 matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070458
PNG
((R)-2,2-Diallyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(CC=C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H35N3O4/c1-6-13-24(14-7-2,23(30)27-31)19(15-17(3)4)21(28)26-20(22(29)25-5)16-18-11-9-8-10-12-18/h6-12,17,19-20,31H,1-2,13-16H2,3-5H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070456
PNG
((2S,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C27H35N3O4/c1-5-16-27(4,26(33)30-34)22(17-19(2)3)24(31)29-23(18-20-12-8-6-9-13-20)25(32)28-21-14-10-7-11-15-21/h5-15,19,22-23,34H,1,16-18H2,2-4H3,(H,28,32)(H,29,31)(H,30,33)/t22-,23-,27-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070451
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2-cyclohexyl-1-phenethyl...)
Show SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)[C@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C29H45N3O4/c1-5-17-29(4,28(35)32-36)24(19-21(2)3)26(33)31-25(20-23-14-10-7-11-15-23)27(34)30-18-16-22-12-8-6-9-13-22/h5-6,8-9,12-13,21,23-25,36H,1,7,10-11,14-20H2,2-4H3,(H,30,34)(H,31,33)(H,32,35)/t24-,25-,29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070454
PNG
(1-[(R)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phenyl-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C1(CCCC1)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-15(2)13-17(22(21(28)25-29)11-7-8-12-22)19(26)24-18(20(27)23-3)14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18,29H,7-8,11-14H2,1-3H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070455
PNG
((R)-N*1*-Hydroxy-3-isobutyl-2,2-dimethyl-N*4*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(C)(C)C(=O)NO
Show InChI InChI=1S/C20H31N3O4/c1-13(2)11-15(20(3,4)19(26)23-27)17(24)22-16(18(25)21-5)12-14-9-7-6-8-10-14/h6-10,13,15-16,27H,11-12H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070459
PNG
((2R,3R)-2-Allyl-N*1*-hydroxy-3-isobutyl-2-methyl-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@](C)(CC=C)C(=O)NO
Show InChI InChI=1S/C22H33N3O4/c1-6-12-22(4,21(28)25-29)17(13-15(2)3)19(26)24-18(20(27)23-5)14-16-10-8-7-9-11-16/h6-11,15,17-18,29H,1,12-14H2,2-5H3,(H,23,27)(H,24,26)(H,25,28)/t17-,18-,22+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070452
PNG
((2S,3R)-2-Allyl-N*4*-((S)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@](C)(CC=C)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C19H35N3O4/c1-9-10-19(7,17(25)22-26)13(11-12(2)3)15(23)21-14(16(24)20-8)18(4,5)6/h9,12-14,26H,1,10-11H2,2-8H3,(H,20,24)(H,21,23)(H,22,25)/t13-,14+,19-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070458
PNG
((R)-2,2-Diallyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(CC=C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H35N3O4/c1-6-13-24(14-7-2,23(30)27-31)19(15-17(3)4)21(28)26-20(22(29)25-5)16-18-11-9-8-10-12-18/h6-12,17,19-20,31H,1-2,13-16H2,3-5H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50070458
PNG
((R)-2,2-Diallyl-N*1*-hydroxy-3-isobutyl-N*4*-((S)-...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)C(CC=C)(CC=C)C(=O)NO
Show InChI InChI=1S/C24H35N3O4/c1-6-13-24(14-7-2,23(30)27-31)19(15-17(3)4)21(28)26-20(22(29)25-5)16-18-11-9-8-10-12-18/h6-12,17,19-20,31H,1-2,13-16H2,3-5H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3(MMP-3)


Bioorg Med Chem Lett 8: 1443-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00255-8
BindingDB Entry DOI: 10.7270/Q2DF6QB8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%