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Compile Data Set for Download or QSAR

Found 53 hits of ph data with Target = 'Matrix metalloproteinase-1 (MMP1)'   
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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PubMed
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))
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))
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
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))
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
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))
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 6.60n/an/an/an/a7.422



Wyeth Research



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...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11877
PNG
(N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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274 -37.5n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11552
PNG
((3R)-2-[(4-chloro-1,1-biphenyl-4-yl)methyl]-N-hydr...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O4S/c19-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-21-17(18(22)20-23)2-1-11-26(21,24)25/h3-10,17,23H,1-2,11-12H2,(H,20,22)/t17-/m1/s1
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318 -37.1n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11866
PNG
(N-Hydroxy-1-(3-methoxybenzyl)-4-{[(4-phenoxyphenyl...)
Show SMILES COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(CC2)C(=O)NO)c1
Show InChI InChI=1S/C27H30N2O6S/c1-34-24-9-5-6-21(18-24)19-29-16-14-27(15-17-29,26(30)28-31)20-36(32,33)25-12-10-23(11-13-25)35-22-7-3-2-4-8-22/h2-13,18,31H,14-17,19-20H2,1H3,(H,28,30)
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330 -37.0n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11874
PNG
(N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)
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350 -36.8n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11875
PNG
(1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...)
Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)
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400 -36.5n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11868
PNG
(CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
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417 -36.4n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
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435 -36.3n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11873
PNG
(N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...)
Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)
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464 -36.1n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11864
PNG
(beta-sulfone 7a | tert-Butyl 4-[(Hydroxyamino)carb...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18/h4-12,29H,13-17H2,1-3H3,(H,25,27)
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475 -36.1n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11867
PNG
(CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30)
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700 -35.1n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11876
PNG
(1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxypheny...)
Show SMILES ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)
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770 -34.9n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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800 -34.8n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
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938 -34.4n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11872
PNG
(1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidin...)
Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)
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1.06E+3 -34.1n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11554
PNG
((3R)-N-hydroxy-1,1-dioxo-2-{[4-(pyridin-4-yl)pheny...)
Show SMILES ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C17H19N3O4S/c21-17(19-22)16-2-1-11-25(23,24)20(16)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h3-10,16,22H,1-2,11-12H2,(H,19,21)/t16-/m1/s1
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1.09E+3 -34.0n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11871
PNG
(1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H28N2O7S/c1-22(2,3)32-21(27)25-15-13-23(14-16-25,20(26)24-28)33(29,30)19-11-9-18(10-12-19)31-17-7-5-4-6-8-17/h4-12,28H,13-16H2,1-3H3,(H,24,26)
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1.14E+3 -33.9n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11865
PNG
(N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-pi...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
Show InChI InChI=1S/C19H22N2O5S/c22-18(21-23)19(10-12-20-13-11-19)14-27(24,25)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,20,23H,10-14H2,(H,21,22)
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2.40E+3 -32.1n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11553
PNG
((3R)-2-[(4-tert-butyl-1,1-biphenyl-4-yl)methyl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)/t20-/m1/s1
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3.17E+3 -31.4n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/m0/s1
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>4.95E+3>-30.3n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/m0/s1
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>4.95E+3>-30.3n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1S/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1
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>4.95E+3>-30.3n/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: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11546
PNG
((3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiaz...)
Show SMILES ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11545
PNG
(2-(1,1-biphenyl-4-yl)-N-hydroxyisothiazolidine-3-c...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c19-16(17-20)15-10-11-23(21,22)18(15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11549
PNG
(2-[(3,5-dichloro-1,1-biphenyl-4-yl)methyl]-N-hydro...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-7-13(8-15(19)9-14)12-3-1-11(2-4-12)10-21-16(17(22)20-23)5-6-26(21,24)25/h1-4,7-9,16,23H,5-6,10H2,(H,20,22)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11548
PNG
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11550
PNG
(N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]is...)
Show SMILES Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
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>4.95E+3>-30.3n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11869
PNG
(4-({[4-(3,4-Dimethylphenoxy)phenyl]sulfonyl}methyl...)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
Show InChI InChI=1S/C24H28N2O5S/c1-4-13-26-14-11-24(12-15-26,23(27)25-28)17-32(29,30)22-9-7-20(8-10-22)31-21-6-5-18(2)19(3)16-21/h1,5-10,16,28H,11-15,17H2,2-3H3,(H,25,27)
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7.70E+3 -29.2n/an/an/an/an/a7.525



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
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