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Compile Data Set for Download or QSAR

Found 49 hits of ph data with Target = 'Stromelysin-1'   
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))
BDBM12077
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m0/s1
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Article
PubMed
n/an/a 810n/an/an/an/a6.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>2.50E+3n/an/an/an/a6.022



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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n/an/a 4n/an/an/an/a6.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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n/an/a 8n/an/an/an/a6.025



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM27877
PNG
(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Show SMILES Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
Show InChI InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
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n/an/a<100n/an/an/an/a6.022



Universita degli Studi



Assay Description
Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...


J Med Chem 52: 1040-9 (2009)


Article DOI: 10.1021/jm801166j
BindingDB Entry DOI: 10.7270/Q28S4N80
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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40 -42.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92441
PNG
(RXP470, 1 | RXP470, Compound 4)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1
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40 -42.2n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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103 -39.9n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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329 -37.0n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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>1.00E+3>-34.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92447
PNG
(Inhibitor, 17)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1
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2.16E+3 -32.3n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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3.00E+3 -31.5n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92443
PNG
(MMP Inhibitor, 3 | Thiophene derivative, compound ...)
Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23+/m1/s1
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3.88E+3 -30.9n/an/an/an/an/a6.825



Commissariat à l'Energie Atomique



Assay Description
Enzyme assay using matrix metalloproteinases.


J Biol Chem 285: 35900-9 (2010)


Article DOI: 10.1074/jbc.M110.139634
BindingDB Entry DOI: 10.7270/Q25X27HV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92446
PNG
(Inhibitor, 16)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1
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5.82E+3 -29.9n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM92442
PNG
(MMP Inhibitor, 2)
Show SMILES CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)
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n/an/a>300n/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM27878
PNG
(13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2...)
Show SMILES NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C22H21N5O5S/c23-15(28)7-11-2-1-3-14-17(11)18-20(30)26-19(27-22(18)33-14)21(31)24-8-10-4-5-13-12(6-10)25-16(29)9-32-13/h4-6,11H,1-3,7-9H2,(H2,23,28)(H,24,31)(H,25,29)(H,26,27,30)
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n/an/a>2.50E+3n/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM85281
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES O=C1N\C(S\C1=C\c1ccccc1)=N/c1nc2ccccc2s1
Show InChI InChI=1S/C17H11N3OS2/c21-15-14(10-11-6-2-1-3-7-11)23-17(19-15)20-16-18-12-8-4-5-9-13(12)22-16/h1-10H,(H,18,19,20,21)/b14-10+
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n/an/a 4.40E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM85280
PNG
(2-(benzo[d]-thiazol-2-ylimino)-thiazolidin-4-one, ...)
Show SMILES Oc1csc(Nc2nc3ccccc3s2)n1
Show InChI InChI=1S/C10H7N3OS2/c14-8-5-15-9(12-8)13-10-11-6-3-1-2-4-7(6)16-10/h1-5,14H,(H,11,12,13)
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n/an/a 3.67E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM85282
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9+
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n/an/a 6.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM85285
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-16(22)19-17(23-14)18-15-12-3-1-2-4-13(12)24-20-15/h1-9,21H,(H,18,19,20,22)/b14-9+
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n/an/a 1.04E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM85286
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-16(22)20-17(23-14)19-15-12-3-1-2-4-13(12)24-21-15/h1-9H,(H,19,20,21,22)/b14-9+
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n/an/a 6.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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n/an/a 1.67E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM237180
PNG
((D-Pyr)-(D-Cys)-Bip-Arg)
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C35H45N9O6S/c1-22(40-29-16-8-9-17-38-29)30(45)44-28(21-51)33(48)43-27(20-24-13-6-3-7-14-24)32(47)42-26(19-23-11-4-2-5-12-23)31(46)41-25(34(49)50)15-10-18-39-35(36)37/h2-9,11-14,16-17,22,25-28,51H,10,15,18-21H2,1H3,(H,38,40)(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,36,37,39)/t22-,25+,26+,27+,28-/m1/s1
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n/an/a 4.75E+3n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(D...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM237181
PNG
((D-Pyr)-(D-Cys)-Bip-Lys)
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C35H45N7O6S/c1-23(38-30-17-9-11-19-37-30)31(43)42-29(22-49)34(46)41-28(21-25-14-6-3-7-15-25)33(45)40-27(20-24-12-4-2-5-13-24)32(44)39-26(35(47)48)16-8-10-18-36/h2-7,9,11-15,17,19,23,26-29,49H,8,10,16,18,20-22,36H2,1H3,(H,37,38)(H,39,44)(H,40,45)(H,41,46)(H,42,43)(H,47,48)/t23-,26+,27+,28+,29-/m1/s1
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n/an/a 3.00E+4n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(D...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM237179
PNG
((D-Pyr)-(D-Cys)-Bip-(D-Cys))
Show SMILES C[C@@H](Nc1ccccn1)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C32H38N6O6S2/c1-20(34-27-14-8-9-15-33-27)28(39)37-25(18-45)31(42)36-23(16-21-10-4-2-5-11-21)29(40)35-24(17-22-12-6-3-7-13-22)30(41)38-26(19-46)32(43)44/h2-15,20,23-26,45-46H,16-19H2,1H3,(H,33,34)(H,35,40)(H,36,42)(H,37,39)(H,38,41)(H,43,44)/t20-,23+,24+,25-,26-/m1/s1
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n/an/a 2.80E+4n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(D...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM237178
PNG
(Arg-(D-Cys)-Bip-Arg)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N11O6S/c34-22(13-7-15-39-32(35)36)27(45)44-26(19-51)30(48)43-25(18-21-11-5-2-6-12-21)29(47)42-24(17-20-9-3-1-4-10-20)28(46)41-23(31(49)50)14-8-16-40-33(37)38/h1-6,9-12,22-26,51H,7-8,13-19,34H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t22-,23-,24-,25-,26+/m0/s1
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n/an/a 2.25E+4n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(D...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM237177
PNG
(Arg-Cys-(D-Bip)-(D-Arg))
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C33H49N11O6S/c34-22(13-7-15-39-32(35)36)27(45)44-26(19-51)30(48)43-25(18-21-11-5-2-6-12-21)29(47)42-24(17-20-9-3-1-4-10-20)28(46)41-23(31(49)50)14-8-16-40-33(37)38/h1-6,9-12,22-26,51H,7-8,13-19,34H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t22-,23+,24+,25+,26-/m0/s1
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n/an/a 1.95E+4n/an/an/an/a7.437



China Pharmaceutical University



Assay Description
The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(D...


J Enzyme Inhib Med Chem 27: 533-40 (2012)


Article DOI: 10.3109/14756366.2011.599323
BindingDB Entry DOI: 10.7270/Q21835D8
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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4.40 -47.7n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM12072
PNG
((R)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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40 -42.2n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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54.9 -41.4n/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13088
PNG
(2-[(4-butoxybenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C16H26N2O5S/c1-4-5-10-23-14-6-8-15(9-7-14)24(21,22)18(11-13(2)3)12-16(19)17-20/h6-9,13,20H,4-5,10-12H2,1-3H3,(H,17,19)
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58 -43.0n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13091
PNG
(2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)s...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
Show InChI InChI=1S/C19H30N2O5S/c1-15(2)12-21(13-19(22)20-23)27(24,25)18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h8-11,15-16,23H,3-7,12-14H2,1-2H3,(H,20,22)
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61 -42.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13090
PNG
(2-{[4-(hexyloxy)benzene](2-methylpropyl)sulfonamid...)
Show SMILES CCCCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C18H30N2O5S/c1-4-5-6-7-12-25-16-8-10-17(11-9-16)26(23,24)20(13-15(2)3)14-18(21)19-22/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,19,21)
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63 -42.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13095
PNG
(CGS 27023A Analog 23 | N-hydroxy-2-[(4-methoxybenz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-24-15-7-9-16(10-8-15)25(22,23)19(13-17(20)18-21)12-11-14-5-3-2-4-6-14/h2-10,21H,11-13H2,1H3,(H,18,20)
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66 -42.6n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM11331
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxya...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C16H18N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H,17,19)
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70 -42.5n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13089
PNG
(CGS 27023A Analog 17 | N-hydroxy-2-{[4-(3-methylbu...)
Show SMILES CC(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C17H28N2O5S/c1-13(2)9-10-24-15-5-7-16(8-6-15)25(22,23)19(11-14(3)4)12-17(20)18-21/h5-8,13-14,21H,9-12H2,1-4H3,(H,18,20)
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78 -42.2n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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133 -40.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM13092
PNG
(CGS 27023A Analog 20 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C15H24N2O5S/c1-11(2)9-17(10-15(18)16-19)23(20,21)14-7-5-13(6-8-14)22-12(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,16,18)
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336 -38.4n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13081
PNG
(2-[(4-chlorobenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H17ClN2O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8H2,1-2H3,(H,14,16)
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943 -35.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13093
PNG
(2-{[4-(2-ethoxyethoxy)benzene](2-methylpropyl)sulf...)
Show SMILES CCOCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C16H26N2O6S/c1-4-23-9-10-24-14-5-7-15(8-6-14)25(21,22)18(11-13(2)3)12-16(19)17-20/h5-8,13,20H,4,9-12H2,1-3H3,(H,17,19)
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1.13E+3 -35.3n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13082
PNG
(2-[benzene(2-methylpropyl)sulfonamido]-N-hydroxyac...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(2)8-14(9-12(15)13-16)19(17,18)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,13,15)
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1.76E+3 -34.2n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM26791
PNG
(benzimidazole analog., 17 | tert-butyl (3S,4S)-3-(...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N5O5/c1-16-27-20-7-5-6-8-22(20)31(16)13-17-9-11-18(12-10-17)23(32)28-21-15-30(14-19(21)24(33)29-35)25(34)36-26(2,3)4/h5-12,19,21,35H,13-15H2,1-4H3,(H,28,32)(H,29,33)/t19-,21+/m0/s1
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2.61E+3 -31.9n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13083
PNG
(CGS 27023A Analog 6 | N-hydroxy-2-[(4-methylbenzen...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C13H20N2O4S/c1-10(2)8-15(9-13(16)14-17)20(18,19)12-6-4-11(3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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3.27E+3 -32.6n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13084
PNG
(2-[(4-fluorobenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H17FN2O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8H2,1-2H3,(H,14,16)
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3.27E+3 -32.6n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM26793
PNG
(benzimidazole analog., 19 | tert-butyl (3S,4S)-3-(...)
Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H35N5O5/c1-17(2)24-29-21-8-6-7-9-23(21)33(24)14-18-10-12-19(13-11-18)25(34)30-22-16-32(15-20(22)26(35)31-37)27(36)38-28(3,4)5/h6-13,17,20,22,37H,14-16H2,1-5H3,(H,30,34)(H,31,35)/t20-,22+/m0/s1
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3.92E+3 -30.9n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13085
PNG
(2-{[4-(dimethylamino)benzene](2-methylpropyl)sulfo...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C14H23N3O4S/c1-11(2)9-17(10-14(18)15-19)22(20,21)13-7-5-12(6-8-13)16(3)4/h5-8,11,19H,9-10H2,1-4H3,(H,15,18)
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4.40E+3 -31.8n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13086
PNG
(2-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-N-...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H19N3O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8,13H2,1-2H3,(H,14,16)
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5.00E+3 -31.5n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM13087
PNG
(CGS 27023A Analog 10 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H17F3N2O4S/c1-9(2)7-18(8-12(19)17-20)23(21,22)11-5-3-10(4-6-11)13(14,15)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19)
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5.35E+3 -31.3n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM12073
PNG
((S)-[1-(4-Methoxybiphenyl-4-sulfonylamino)-2-methy...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
Show InChI InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
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n/an/an/an/an/an/an/a7.525



Istituto di Cristallografia



Assay Description
Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent ...


J Med Chem 49: 923-31 (2006)


Article DOI: 10.1021/jm050787+
BindingDB Entry DOI: 10.7270/Q2348HM7
More data for this
Ligand-Target Pair