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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'sperow' and Initial = 'km'   
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))
BDBM50285557
PNG
((R)-2-[(S)-3-(4-butyl-phenyl)-1-((S)-4-guanidino-1...)
Show SMILES [#6]-[#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C29H42N6O4/c1-3-4-9-21-13-15-22(16-14-21)17-18-25(33-20(2)28(38)39)27(37)35-24(12-8-19-32-29(30)31)26(36)34-23-10-6-5-7-11-23/h5-7,10-11,13-16,20,24-25,33H,3-4,8-9,12,17-19H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)(H4,30,31,32)/t20-,24+,25+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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))
BDBM50285567
PNG
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)
Show SMILES [#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C28H40N6O4/c1-3-8-20-12-14-21(15-13-20)16-17-24(32-19(2)27(37)38)26(36)34-23(11-7-18-31-28(29)30)25(35)33-22-9-5-4-6-10-22/h4-6,9-10,12-15,19,23-24,32H,3,7-8,11,16-18H2,1-2H3,(H,33,35)(H,34,36)(H,37,38)(H4,29,30,31)/t19-,23+,24+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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))
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
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Collagenase


(Homo sapiens (Human))
BDBM50285573
PNG
((R)-2-[(S)-3-(4-ethoxy-phenyl)-1-((S)-4-guanidino-...)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C27H38N6O5/c1-3-38-21-14-11-19(12-15-21)13-16-23(31-18(2)26(36)37)25(35)33-22(10-7-17-30-27(28)29)24(34)32-20-8-5-4-6-9-20/h4-6,8-9,11-12,14-15,18,22-23,31H,3,7,10,13,16-17H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)(H4,28,29,30)/t18-,22+,23+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Collagenase


(Homo sapiens (Human))
BDBM50285559
PNG
((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50285564
PNG
((R)-2-((S)-4-(4-ethylphenyl)-1-((S)-4-methyl-1-oxo...)
Show SMILES CCc1ccc(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/C27H37N3O4/c1-5-20-11-13-21(14-12-20)15-16-23(28-19(4)27(33)34)25(31)30-24(17-18(2)3)26(32)29-22-9-7-6-8-10-22/h6-14,18-19,23-24,28H,5,15-17H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t19-,23+,24+/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Collagenase


(Homo sapiens (Human))
BDBM50285571
PNG
((R)-2-((S)-4-(3,4-dimethylphenyl)-1-((S)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(C)c(C)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H37N3O4/c1-17(2)15-24(26(32)29-22-9-7-6-8-10-22)30-25(31)23(28-20(5)27(33)34)14-13-21-12-11-18(3)19(4)16-21/h6-12,16-17,20,23-24,28H,13-15H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t20-,23+,24+/m1/s1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285567
PNG
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)
Show SMILES [#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C28H40N6O4/c1-3-8-20-12-14-21(15-13-20)16-17-24(32-19(2)27(37)38)26(36)34-23(11-7-18-31-28(29)30)25(35)33-22-9-5-4-6-10-22/h4-6,9-10,12-15,19,23-24,32H,3,7-8,11,16-18H2,1-2H3,(H,33,35)(H,34,36)(H,37,38)(H4,29,30,31)/t19-,23+,24+/m1/s1
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285557
PNG
((R)-2-[(S)-3-(4-butyl-phenyl)-1-((S)-4-guanidino-1...)
Show SMILES [#6]-[#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C29H42N6O4/c1-3-4-9-21-13-15-22(16-14-21)17-18-25(33-20(2)28(38)39)27(37)35-24(12-8-19-32-29(30)31)26(36)34-23-10-6-5-7-11-23/h5-7,10-11,13-16,20,24-25,33H,3-4,8-9,12,17-19H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)(H4,30,31,32)/t20-,24+,25+/m1/s1
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285559
PNG
((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50285564
PNG
((R)-2-((S)-4-(4-ethylphenyl)-1-((S)-4-methyl-1-oxo...)
Show SMILES CCc1ccc(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/C27H37N3O4/c1-5-20-11-13-21(14-12-20)15-16-23(28-19(4)27(33)34)25(31)30-24(17-18(2)3)26(32)29-22-9-7-6-8-10-22/h6-14,18-19,23-24,28H,5,15-17H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t19-,23+,24+/m1/s1
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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50285556
PNG
((R)-2-((S)-4-(4-chlorophenyl)-1-((S)-4-methyl-1-ox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32ClN3O4/c1-16(2)15-22(24(31)28-20-7-5-4-6-8-20)29-23(30)21(27-17(3)25(32)33)14-11-18-9-12-19(26)13-10-18/h4-10,12-13,16-17,21-22,27H,11,14-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21+,22+/m1/s1
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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))
BDBM50285563
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(F)(F)F)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H32F3N3O4/c1-16(2)15-22(24(34)31-20-7-5-4-6-8-20)32-23(33)21(30-17(3)25(35)36)14-11-18-9-12-19(13-10-18)26(27,28)29/h4-10,12-13,16-17,21-22,30H,11,14-15H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)/t17-,21+,22+/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285574
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H35N3O4/c1-17(2)16-23(25(31)28-21-8-6-5-7-9-21)29-24(30)22(27-19(4)26(32)33)15-14-20-12-10-18(3)11-13-20/h5-13,17,19,22-23,27H,14-16H2,1-4H3,(H,28,31)(H,29,30)(H,32,33)/t19-,22+,23+/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Collagenase


(Homo sapiens (Human))
BDBM50285572
PNG
((R)-2-((S)-4-(4-isopropylphenyl)-1-((S)-4-methyl-1...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(C)C)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H39N3O4/c1-18(2)17-25(27(33)30-23-9-7-6-8-10-23)31-26(32)24(29-20(5)28(34)35)16-13-21-11-14-22(15-12-21)19(3)4/h6-12,14-15,18-20,24-25,29H,13,16-17H2,1-5H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50285572
PNG
((R)-2-((S)-4-(4-isopropylphenyl)-1-((S)-4-methyl-1...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)C(C)C)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H39N3O4/c1-18(2)17-25(27(33)30-23-9-7-6-8-10-23)31-26(32)24(29-20(5)28(34)35)16-13-21-11-14-22(15-12-21)19(3)4/h6-12,14-15,18-20,24-25,29H,13,16-17H2,1-5H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285556
PNG
((R)-2-((S)-4-(4-chlorophenyl)-1-((S)-4-methyl-1-ox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32ClN3O4/c1-16(2)15-22(24(31)28-20-7-5-4-6-8-20)29-23(30)21(27-17(3)25(32)33)14-11-18-9-12-19(26)13-10-18/h4-10,12-13,16-17,21-22,27H,11,14-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21+,22+/m1/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285566
PNG
((R)-2-((S)-4-(4-fluorophenyl)-1-((S)-4-methyl-1-ox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(F)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32FN3O4/c1-16(2)15-22(24(31)28-20-7-5-4-6-8-20)29-23(30)21(27-17(3)25(32)33)14-11-18-9-12-19(26)13-10-18/h4-10,12-13,16-17,21-22,27H,11,14-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21+,22+/m1/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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))
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
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50241370
PNG
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)
Show SMILES [#6]-[#6@@H](-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/t17-,20+,21+/m1/s1
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210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50285576
PNG
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1cccc(C)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H35N3O4/c1-17(2)15-23(25(31)28-21-11-6-5-7-12-21)29-24(30)22(27-19(4)26(32)33)14-13-20-10-8-9-18(3)16-20/h5-12,16-17,19,22-23,27H,13-15H2,1-4H3,(H,28,31)(H,29,30)(H,32,33)/t19-,22+,23+/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285571
PNG
((R)-2-((S)-4-(3,4-dimethylphenyl)-1-((S)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(C)c(C)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H37N3O4/c1-17(2)15-24(26(32)29-22-9-7-6-8-10-22)30-25(31)23(28-20(5)27(33)34)14-13-21-12-11-18(3)19(4)16-21/h6-12,16-17,20,23-24,28H,13-15H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t20-,23+,24+/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285573
PNG
((R)-2-[(S)-3-(4-ethoxy-phenyl)-1-((S)-4-guanidino-...)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1
Show InChI InChI=1S/C27H38N6O5/c1-3-38-21-14-11-19(12-15-21)13-16-23(31-18(2)26(36)37)25(35)33-22(10-7-17-30-27(28)29)24(34)32-20-8-5-4-6-9-20/h4-6,8-9,11-12,14-15,18,22-23,31H,3,7,10,13,16-17H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)(H4,28,29,30)/t18-,22+,23+/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50285566
PNG
((R)-2-((S)-4-(4-fluorophenyl)-1-((S)-4-methyl-1-ox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(F)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32FN3O4/c1-16(2)15-22(24(31)28-20-7-5-4-6-8-20)29-23(30)21(27-17(3)25(32)33)14-11-18-9-12-19(26)13-10-18/h4-10,12-13,16-17,21-22,27H,11,14-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)/t17-,21+,22+/m1/s1
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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase-A (MMP-2)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50285577
PNG
((R)-2-((S)-4-(3-hydroxyphenyl)-1-((S)-4-methyl-1-o...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1cccc(O)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-22(24(31)27-19-9-5-4-6-10-19)28-23(30)21(26-17(3)25(32)33)13-12-18-8-7-11-20(29)15-18/h4-11,15-17,21-22,26,29H,12-14H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/t17-,21+,22+/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50241370
PNG
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)
Show SMILES [#6]-[#6@@H](-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/t17-,20+,21+/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50285565
PNG
((R)-2-((S)-4-(4-hydroxyphenyl)-1-((S)-4-methyl-1-o...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c1-16(2)15-22(24(31)27-19-7-5-4-6-8-19)28-23(30)21(26-17(3)25(32)33)14-11-18-9-12-20(29)13-10-18/h4-10,12-13,16-17,21-22,26,29H,11,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/t17-,21+,22+/m1/s1
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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))
BDBM50241370
PNG
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)
Show SMILES [#6]-[#6@@H](-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/t17-,20+,21+/m1/s1
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human collagenase (MMP-1)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50285577
PNG
((R)-2-((S)-4-(3-hydroxyphenyl)-1-((S)-4-methyl-1-o...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1cccc(O)c1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-22(24(31)27-19-9-5-4-6-10-19)28-23(30)21(26-17(3)25(32)33)13-12-18-8-7-11-20(29)15-18/h4-11,15-17,21-22,26,29H,12-14H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)/t17-,21+,22+/m1/s1
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510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human collagenase (MMP-1)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
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
PDB
MMDB

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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
PDB
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760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human collagenase (MMP-1)


Bioorg Med Chem Lett 5: 2441-2446 (1995)


Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6
More data for this
Ligand-Target Pair
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