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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50029895   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50289127
PNG
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289128
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H48N4O6/c1-4-12-27-18-20-28(21-19-27)22-23-32(35(44)42-34(25-26(2)3)36(45)40-29-13-6-5-7-14-29)41-33(39(48)49)17-10-11-24-43-37(46)30-15-8-9-16-31(30)38(43)47/h5-9,13-16,18-21,26,32-34,41H,4,10-12,17,22-25H2,1-3H3,(H,40,45)(H,42,44)(H,48,49)/t32-,33+,34-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289128
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H48N4O6/c1-4-12-27-18-20-28(21-19-27)22-23-32(35(44)42-34(25-26(2)3)36(45)40-29-13-6-5-7-14-29)41-33(39(48)49)17-10-11-24-43-37(46)30-15-8-9-16-31(30)38(43)47/h5-9,13-16,18-21,26,32-34,41H,4,10-12,17,22-25H2,1-3H3,(H,40,45)(H,42,44)(H,48,49)/t32-,33+,34-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057090
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289127
PNG
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50288702
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H42N4O6/c1-24(2)23-31(33(42)37-26-15-7-4-8-16-26)39-32(41)29(21-20-25-13-5-3-6-14-25)38-30(36(45)46)19-11-12-22-40-34(43)27-17-9-10-18-28(27)35(40)44/h3-10,13-18,24,29-31,38H,11-12,19-23H2,1-2H3,(H,37,42)(H,39,41)(H,45,46)/t29-,30+,31-/m0/s1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289123
PNG
((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057090
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057055
PNG
((2S,4R)-2-Methyl-4-((S)-3-methyl-1-phenylcarbamoyl...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H40N2O4/c1-5-9-22-12-14-23(15-13-22)16-17-24(19-21(4)29(34)35)27(32)31-26(18-20(2)3)28(33)30-25-10-7-6-8-11-25/h6-8,10-15,20-21,24,26H,5,9,16-19H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t21-,24+,26-/m0/s1
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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288702
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H42N4O6/c1-24(2)23-31(33(42)37-26-15-7-4-8-16-26)39-32(41)29(21-20-25-13-5-3-6-14-25)38-30(36(45)46)19-11-12-22-40-34(43)27-17-9-10-18-28(27)35(40)44/h3-10,13-18,24,29-31,38H,11-12,19-23H2,1-2H3,(H,37,42)(H,39,41)(H,45,46)/t29-,30+,31-/m0/s1
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86n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289123
PNG
((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289126
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CCCc1ccc(CC[C@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H38N2O4/c1-4-8-21-11-13-22(14-12-21)15-16-23(17-18-26(31)32)27(33)30-25(19-20(2)3)28(34)29-24-9-6-5-7-10-24/h5-7,9-14,20,23,25H,4,8,15-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t23-,25+/m1/s1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057083
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c1-17(2)16-22(24(30)27-20-12-8-5-9-13-20)28-23(29)21(26-18(3)25(31)32)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22,26H,14-16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t18-,21+,22+/m1/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289126
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CCCc1ccc(CC[C@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H38N2O4/c1-4-8-21-11-13-22(14-12-21)15-16-23(17-18-26(31)32)27(33)30-25(19-20(2)3)28(34)29-24-9-6-5-7-10-24/h5-7,9-14,20,23,25H,4,8,15-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t23-,25+/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50057055
PNG
((2S,4R)-2-Methyl-4-((S)-3-methyl-1-phenylcarbamoyl...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H40N2O4/c1-5-9-22-12-14-23(15-13-22)16-17-24(19-21(4)29(34)35)27(32)31-26(18-20(2)3)28(33)30-25-10-7-6-8-11-25/h6-8,10-15,20-21,24,26H,5,9,16-19H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t21-,24+,26-/m0/s1
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310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50057083
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c1-17(2)16-22(24(30)27-20-12-8-5-9-13-20)28-23(29)21(26-18(3)25(31)32)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22,26H,14-16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t18-,21+,22+/m1/s1
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310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50288702
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C36H42N4O6/c1-24(2)23-31(33(42)37-26-15-7-4-8-16-26)39-32(41)29(21-20-25-13-5-3-6-14-25)38-30(36(45)46)19-11-12-22-40-34(43)27-17-9-10-18-28(27)35(40)44/h3-10,13-18,24,29-31,38H,11-12,19-23H2,1-2H3,(H,37,42)(H,39,41)(H,45,46)/t29-,30+,31-/m0/s1
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720n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50057083
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O4/c1-17(2)16-22(24(30)27-20-12-8-5-9-13-20)28-23(29)21(26-18(3)25(31)32)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22,26H,14-16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t18-,21+,22+/m1/s1
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770n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289123
PNG
((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289125
PNG
(CHEMBL167705 | [(S)-1-(3-Methyl-1-phenylcarbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NCC(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)15-21(24(31)26-19-11-7-4-8-12-19)27-23(30)20(25-16-22(28)29)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,21-/m0/s1
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4.62E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50057090
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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5.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289128
PNG
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)
Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C39H48N4O6/c1-4-12-27-18-20-28(21-19-27)22-23-32(35(44)42-34(25-26(2)3)36(45)40-29-13-6-5-7-14-29)41-33(39(48)49)17-10-11-24-43-37(46)30-15-8-9-16-31(30)38(43)47/h5-9,13-16,18-21,26,32-34,41H,4,10-12,17,22-25H2,1-3H3,(H,40,45)(H,42,44)(H,48,49)/t32-,33+,34-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289126
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CCCc1ccc(CC[C@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H38N2O4/c1-4-8-21-11-13-22(14-12-21)15-16-23(17-18-26(31)32)27(33)30-25(19-20(2)3)28(34)29-24-9-6-5-7-10-24/h5-7,9-14,20,23,25H,4,8,15-19H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t23-,25+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289127
PNG
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50057055
PNG
((2S,4R)-2-Methyl-4-((S)-3-methyl-1-phenylcarbamoyl...)
Show SMILES CCCc1ccc(CC[C@H](C[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H40N2O4/c1-5-9-22-12-14-23(15-13-22)16-17-24(19-21(4)29(34)35)27(32)31-26(18-20(2)3)28(33)30-25-10-7-6-8-11-25/h6-8,10-15,20-21,24,26H,5,9,16-19H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t21-,24+,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair