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Compile Data Set for Download or QSAR

Found 7205 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase (1 and 13)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11847
PNG
(2-[(2,3,4,5,6-pentafluorobenzene)sulfonamido]-3-ph...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H16F5N5O4S3/c1-8(17(31)27-19-28-29-20(35)36-19)26-18(32)10(7-9-5-3-2-4-6-9)30-37(33,34)16-14(24)12(22)11(21)13(23)15(16)25/h2-6,8,10,30H,7H2,1H3,(H,26,32)(H,29,35)(H,27,28,31)
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9.00E+3 -28.5n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11848
PNG
(3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)c...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C21H20F3N5O4S3/c1-12(17(30)26-19-27-28-20(34)35-19)25-18(31)16(10-13-6-3-2-4-7-13)29-36(32,33)15-9-5-8-14(11-15)21(22,23)24/h2-9,11-12,16,29H,10H2,1H3,(H,25,31)(H,28,34)(H,26,27,30)
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1.30E+4 -27.6n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11846
PNG
(2-[(4-acetamidobenzene)sulfonamido]-3-phenyl-N-{1-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C22H24N6O5S3/c1-13(19(30)25-21-26-27-22(34)35-21)23-20(31)18(12-15-6-4-3-5-7-15)28-36(32,33)17-10-8-16(9-11-17)24-14(2)29/h3-11,13,18,28H,12H2,1-2H3,(H,23,31)(H,24,29)(H,27,34)(H,25,26,30)
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1.40E+4 -27.4n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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1.50E+4 -27.3n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11844
PNG
(2-[(3-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(10-13-6-3-2-4-7-13)25-35(31,32)15-9-5-8-14(11-15)26(29)30/h2-9,11-12,16,25H,10H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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1.80E+4 -26.8n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11849
PNG
(2-[(2,5-dichlorobenzene)sulfonamido]-3-phenyl-N-{1...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H19Cl2N5O4S3/c1-11(17(28)24-19-25-26-20(32)33-19)23-18(29)15(9-12-5-3-2-4-6-12)27-34(30,31)16-10-13(21)7-8-14(16)22/h2-8,10-11,15,27H,9H2,1H3,(H,23,29)(H,26,32)(H,24,25,28)
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1.90E+4 -26.7n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11838
PNG
(2-[(4-fluorobenzene)sulfonamido]-3-phenyl-N-{1-[(5...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20FN5O4S3/c1-12(17(27)23-19-24-25-20(31)32-19)22-18(28)16(11-13-5-3-2-4-6-13)26-33(29,30)15-9-7-14(21)8-10-15/h2-10,12,16,26H,11H2,1H3,(H,22,28)(H,25,31)(H,23,24,27)
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1.90E+4 -26.7n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11839
PNG
(2-[(4-chlorobenzene)sulfonamido]-3-phenyl-N-{1-[(5...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20ClN5O4S3/c1-12(17(27)23-19-24-25-20(31)32-19)22-18(28)16(11-13-5-3-2-4-6-13)26-33(29,30)15-9-7-14(21)8-10-15/h2-10,12,16,26H,11H2,1H3,(H,22,28)(H,25,31)(H,23,24,27)
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2.00E+4 -26.6n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11841
PNG
(2-[(4-iodobenzene)sulfonamido]-3-phenyl-N-{1-[(5-s...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20IN5O4S3/c1-12(17(27)23-19-24-25-20(31)32-19)22-18(28)16(11-13-5-3-2-4-6-13)26-33(29,30)15-9-7-14(21)8-10-15/h2-10,12,16,26H,11H2,1H3,(H,22,28)(H,25,31)(H,23,24,27)
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2.10E+4 -26.4n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11836
PNG
(2-benzenesulfonamido-3-phenyl-N-{1-[(5-sulfanyl-1,...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H21N5O4S3/c1-13(17(26)22-19-23-24-20(30)31-19)21-18(27)16(12-14-8-4-2-5-9-14)25-32(28,29)15-10-6-3-7-11-15/h2-11,13,16,25H,12H2,1H3,(H,21,27)(H,24,30)(H,22,23,26)
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2.20E+4 -26.3n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11840
PNG
(2-[(4-bromobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20BrN5O4S3/c1-12(17(27)23-19-24-25-20(31)32-19)22-18(28)16(11-13-5-3-2-4-6-13)26-33(29,30)15-9-7-14(21)8-10-15/h2-10,12,16,26H,11H2,1H3,(H,22,28)(H,25,31)(H,23,24,27)
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2.40E+4 -26.1n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11837
PNG
(3-phenyl-2-(phenylmethane)sulfonamido-N-{1-[(5-sul...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C21H23N5O4S3/c1-14(18(27)23-20-24-25-21(31)32-20)22-19(28)17(12-15-8-4-2-5-9-15)26-33(29,30)13-16-10-6-3-7-11-16/h2-11,14,17,26H,12-13H2,1H3,(H,22,28)(H,25,31)(H,23,24,27)
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2.40E+4 -26.1n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11845
PNG
(2-[(2-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)14(11-13-7-3-2-4-8-13)25-35(31,32)16-10-6-5-9-15(16)26(29)30/h2-10,12,14,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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2.90E+4 -25.6n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11842
PNG
(2-[(4-methylbenzene)sulfonamido]-3-phenyl-N-{1-[(5...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C21H23N5O4S3/c1-13-8-10-16(11-9-13)33(29,30)26-17(12-15-6-4-3-5-7-15)19(28)22-14(2)18(27)23-20-24-25-21(31)32-20/h3-11,14,17,26H,12H2,1-2H3,(H,22,28)(H,25,31)(H,23,24,27)
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3.00E+4 -25.6n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50043582
PNG
(1N-phenyl-2-[1-[1-amino-(1R)-ethylcarboxamido]-3-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H34N4O3/c1-17(2)16-22(25(32)27-20-12-8-5-9-13-20)29-24(31)21(28-23(30)18(3)26)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22H,14-16,26H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t18-,21+,22+/m1/s1
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760n/an/an/an/an/an/a6.5n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase at pH 6.5


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Collagenase


(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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18 -44.2n/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
3D
3D Structure (crystal)
Collagenase


(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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49 -41.7n/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
Collagenase


(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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49 -41.7n/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
Collagenase


(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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338 -36.9n/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
Collagenase


(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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468 -36.1n/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
Collagenase


(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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501 -36.0n/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
Collagenase


(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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603 -35.5n/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
Collagenase


(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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684 -35.2n/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
Collagenase


(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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684 -35.2n/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
Matrix metalloproteinase-1 (MMP1)


(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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>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
Matrix metalloproteinase-1 (MMP1)


(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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>1.00E+4>-28.5n/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
Matrix metalloproteinase-1 (MMP1)


(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+4>-28.5n/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
Matrix metalloproteinase-1 (MMP1)


(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+4>-28.5n/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
Collagenase


(Homo sapiens (human))
BDBM16596
PNG
(4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F
Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
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n/an/a 0.670n/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
3D
3D Structure (crystal)
Collagenase


(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 46n/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
Matrix metalloproteinase-1 (MMP1)


(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>1.00E+4n/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
Matrix metalloproteinase-1 (MMP1)


(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>2.00E+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
Collagenase


(Homo sapiens (human))
BDBM50265079
PNG
((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...)
Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1
Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)
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n/an/a 0.670n/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
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (human))
BDBM92444
PNG
(MMP Inhibitor, 6)
Show SMILES OC(=O)C12CCC(CNC(=O)c3cc(nc4ccnn34)C(=O)NCc3ccc(F)c(Cl)c3)(CC1)CC2
Show InChI InChI=1S/C25H25ClFN5O4/c26-16-11-15(1-2-17(16)27)13-28-21(33)18-12-19(32-20(31-18)3-10-30-32)22(34)29-14-24-4-7-25(8-5-24,9-6-24)23(35)36/h1-3,10-12H,4-9,13-14H2,(H,28,33)(H,29,34)(H,35,36)
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n/an/a 33.4n/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
Collagenase


(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<25n/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
Collagenase


(Homo sapiens (human))
BDBM85287
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES O=C1N\C(S\C1=C\c1ccc(cc1)N(=O)=O)=N\c1nsc2ccccc12
Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-7-11(8-6-10)21(23)24)25-17(19-16)18-15-12-3-1-2-4-13(12)26-20-15/h1-9H,(H,18,19,20,22)/b14-9+
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n/an/a 5.59E+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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM29018
PNG
((1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl...)
Show SMILES ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1
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n/an/a 1.18E+6n/an/an/an/a7.025



University of Florence



Assay Description
The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis ...


Bioorg Med Chem 14: 7392-403 (2006)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2TD9VPX
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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n/an/a 36n/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
Collagenase


(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 158n/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
Collagenase


(Homo sapiens (human))
BDBM85284
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES O=C1N\C(S\C1=C\c1ccccc1)=N\c1nsc2ccccc12
Show InChI InChI=1S/C17H11N3OS2/c21-16-14(10-11-6-2-1-3-7-11)22-17(19-16)18-15-12-8-4-5-9-13(12)23-20-15/h1-10H,(H,18,19,20,21)/b14-10+
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n/an/a 3.20E+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
Collagenase


(Homo sapiens (human))
BDBM85283
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES O=C1N\C(S\C1=C\c1ccc(cc1)N(=O)=O)=N/c1nc2ccccc2s1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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n/an/a 6.00E+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
Collagenase


(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 2.00E+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
Collagenase


(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 9.80E+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
Collagenase


(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 2.50E+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
Collagenase


(Homo sapiens (human))
BDBM29018
PNG
((1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl...)
Show SMILES ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1
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n/an/a 7.78E+5n/an/an/an/a7.025



University of Florence



Assay Description
The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis ...


Bioorg Med Chem 14: 7392-403 (2006)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2TD9VPX
More data for this
Ligand-Target Pair
Collagenase


(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 4.50E+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
Collagenase


(Homo sapiens (human))
BDBM26550
PNG
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)
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17 -43.9n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.014
BindingDB Entry DOI: 10.7270/Q2930RH8
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26550
PNG
(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)
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17 -43.9n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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700 -34.8n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.064
BindingDB Entry DOI: 10.7270/Q2DV1H67
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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1.20E+3 -33.5n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.014
BindingDB Entry DOI: 10.7270/Q2930RH8
More data for this
Ligand-Target Pair
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