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Compile Data Set for Download or QSAR

Found 4056 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-1 (MMP1)'   
Target
(Institution)
LigandTarget
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))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
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n/an/a 0.0410n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072583
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-[(S)-1-(1H-indole-3-...)
Show SMILES CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C22H31N3O5/c1-12(2)10-14(18(27)21(29)25-30)20(28)24-19(22(3,4)5)17(26)15-11-23-16-9-7-6-8-13(15)16/h6-9,11-12,14,18-19,23,27,30H,10H2,1-5H3,(H,24,28)(H,25,29)/t14-,18+,19-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063915
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-[(S)...)
Show SMILES CNC(=O)[C@H](Cc1cccc2CCCCc12)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C23H35N3O4/c1-14(2)12-19(15(3)21(27)26-30)22(28)25-20(23(29)24-4)13-17-10-7-9-16-8-5-6-11-18(16)17/h7,9-10,14-15,19-20,30H,5-6,8,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)/t15-,19+,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1).


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1).


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP1 by spectrofluorimeter


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082537
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-thi...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C14H20N2O5S2/c1-14(2)12(13(17)15-18)16(8-9-22-14)23(19,20)11-6-4-10(21-3)5-7-11/h4-7,12,18H,8-9H2,1-3H3,(H,15,17)/t12-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082543
PNG
((S)-4-(4-Bromo-2-methyl-benzenesulfonyl)-2,2-dimet...)
Show SMILES Cc1cc(Br)ccc1S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H21BrN2O4S2/c1-10-9-11(16)5-6-12(10)24(21,22)18-7-4-8-23-15(2,3)13(18)14(19)17-20/h5-6,9,13,20H,4,7-8H2,1-3H3,(H,17,19)/t13-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082541
PNG
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-[1,4]...)
Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H19BrN2O4S2/c1-14(2)12(13(18)16-19)17(8-3-9-22-14)23(20,21)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 567-70 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay


J Med Chem 45: 219-32 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082545
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082991
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2n(C)c(=O)ccc2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C26H38N4O6/c1-15(2)12-18(23(32)28-22(25(34)27-6)26(3,4)5)21(24(33)29-35)36-14-16-8-10-19-17(13-16)9-11-20(31)30(19)7/h8-11,13,15,18,21-22,35H,12,14H2,1-7H3,(H,27,34)(H,28,32)(H,29,33)/t18-,21+,22-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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n/an/a 0.990n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-1 (MMP-1)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50181002
PNG
((S)-N-hydroxy-2,2-dimethyl-4-(4-(prop-2-ynyloxy)ph...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#C)cc1
Show InChI InChI=1S/C16H20N2O5S2/c1-4-10-23-12-5-7-13(8-6-12)25(21,22)18-9-11-24-16(2,3)14(18)15(19)17-20/h1,5-8,14,20H,9-11H2,2-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082534
PNG
((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...)
Show SMILES CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C17H21N3O4S3/c1-17(2)15(16(21)19-22)20(10-5-11-25-17)27(23,24)14-8-7-13(26-14)12-6-3-4-9-18-12/h3-4,6-9,15,22H,5,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082550
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-6-methoxymethoxy...)
Show SMILES COCOC1CSC(C)(C)[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C17H26N2O7S2/c1-17(2)15(16(20)18-21)19(9-13(10-27-17)26-11-24-3)28(22,23)14-7-5-12(25-4)6-8-14/h5-8,13,15,21H,9-11H2,1-4H3,(H,18,20)/t13?,15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082945
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1cccc2cccnc12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H35N5O6S/c1-14(2)13-16(21(30)27-20(23(32)25-6)24(3,4)5)19(22(31)28-33)29-36(34,35)17-11-7-9-15-10-8-12-26-18(15)17/h7-12,14,16,19-20,29,33H,13H2,1-6H3,(H,25,32)(H,27,30)(H,28,31)/t16-,19+,20-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072566
PNG
((2R,3S)-2-Allyl-N*4*-[(S)-1-benzyl-2-(1H-indol-3-y...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H33N3O4/c1-4-10-21(28(34)31-35)22(15-18(2)3)27(33)30-25(16-19-11-6-5-7-12-19)26(32)23-17-29-24-14-9-8-13-20(23)24/h4-9,11-14,17-18,21-22,25,29,35H,1,10,15-16H2,2-3H3,(H,30,33)(H,31,34)/t21-,22+,25-/m0/s1
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Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063918
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072563
PNG
((2R,3S)-2-Allyl-N*1*-hydroxy-N*4*-[(S)-1-(1H-indol...)
Show SMILES CC(C)C[C@H]([C@H](CC=C)C(=O)NO)C(=O)N[C@H](C(=O)c1c[nH]c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C25H35N3O4/c1-7-10-17(24(31)28-32)18(13-15(2)3)23(30)27-22(25(4,5)6)21(29)19-14-26-20-12-9-8-11-16(19)20/h7-9,11-12,14-15,17-18,22,26,32H,1,10,13H2,2-6H3,(H,27,30)(H,28,31)/t17-,18+,22+/m0/s1
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Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082957
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H35N5O6S/c1-14(2)12-17(21(30)27-20(23(32)25-6)24(3,4)5)19(22(31)28-33)29-36(34,35)16-9-10-18-15(13-16)8-7-11-26-18/h7-11,13-14,17,19-20,29,33H,12H2,1-6H3,(H,25,32)(H,27,30)(H,28,31)/t17-,19+,20-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082552
PNG
((S)-4-(4-Bromo-benzenesulfonyl)-2,2-dimethyl-1,1-d...)
Show SMILES CC1(C)[C@@H](N(CCCS1(=O)=O)S(=O)(=O)c1ccc(Br)cc1)C(=O)NO
Show InChI InChI=1S/C14H19BrN2O6S2/c1-14(2)12(13(18)16-19)17(8-3-9-24(14,20)21)25(22,23)11-6-4-10(15)5-7-11/h4-7,12,19H,3,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50098923
PNG
((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H21N3O6S/c1-25-12-4-6-13(7-5-12)26(23,24)19-10-11-3-2-8-18(11)15(20)9-14(19)16(21)17-22/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,17,21)/t11-,14+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50070457
PNG
((2R,3S)-N*4*-Hydroxy-2-isobutyl-3-methyl-N*1*-((S)...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO
Show InChI InChI=1S/C19H29N3O4/c1-12(2)10-15(13(3)17(23)22-26)18(24)21-16(19(25)20-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+,16-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 8: 1443-8 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082963
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2nc[nH]c(=O)c2c1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C23H34N6O7S/c1-12(2)9-15(20(31)27-18(22(33)24-6)23(3,4)5)17(21(32)28-34)29-37(35,36)13-7-8-16-14(10-13)19(30)26-11-25-16/h7-8,10-12,15,17-18,29,34H,9H2,1-6H3,(H,24,33)(H,27,31)(H,28,32)(H,25,26,30)/t15-,17+,18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50146634
PNG
(CHEMBL328903 | N*1*-(2,2-Dimethyl-1-methylcarbamoy...)
Show SMILES CNC(=O)C(NC(=O)C(CC(C)C)C(NS(=O)(=O)c1cccc2cccc(=O)n12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H35N5O7S/c1-14(2)13-16(21(31)26-20(23(33)25-6)24(3,4)5)19(22(32)27-34)28-37(35,36)18-12-8-10-15-9-7-11-17(30)29(15)18/h7-12,14,16,19-20,28,34H,13H2,1-6H3,(H,25,33)(H,26,31)(H,27,32)
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De Novo Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175542
PNG
(7-Oxo-7,8-dihydro-6H-quinolizine-4-carboxylic acid...)
Show SMILES ONC(=O)CNC(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C12H13N3O4/c16-9-5-4-8-2-1-3-10(15(8)7-9)12(18)13-6-11(17)14-19/h1-4,19H,5-7H2,(H,13,18)(H,14,17)
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De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175534
PNG
(CHEMBL370842 | N-Hydroxy-3-(7-oxo-7,8-dihydro-6H-q...)
Show SMILES ONC(=O)CCS(=O)(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C12H14N2O5S/c15-10-5-4-9-2-1-3-12(14(9)8-10)20(18,19)7-6-11(16)13-17/h1-4,17H,5-8H2,(H,13,16)
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De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175564
PNG
(CHEMBL198634 | N-Hydroxy-2-(7-oxo-7,8-dihydro-6H-q...)
Show SMILES ONC(=O)CNS(=O)(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C11H13N3O5S/c15-9-5-4-8-2-1-3-11(14(8)7-9)20(18,19)12-6-10(16)13-17/h1-4,12,17H,5-7H2,(H,13,16)
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De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082980
PNG
((2R,3S)-2-(Benzenesulfonyl-methyl-amino)-N*4*-((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](N(C)S(=O)(=O)c1ccccc1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C22H36N4O6S/c1-14(2)13-16(19(27)24-18(21(29)23-6)22(3,4)5)17(20(28)25-30)26(7)33(31,32)15-11-9-8-10-12-15/h8-12,14,16-18,30H,13H2,1-7H3,(H,23,29)(H,24,27)(H,25,28)/t16-,17+,18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 295-9 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP1)


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1).


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082965
PNG
((2R,3S)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C25H37N5O4/c1-15(2)13-18(22(31)29-21(24(33)26-6)25(3,4)5)20(23(32)30-34)28-14-17-10-7-9-16-11-8-12-27-19(16)17/h7-12,15,18,20-21,28,34H,13-14H2,1-6H3,(H,26,33)(H,29,31)(H,30,32)/t18-,20+,21-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP-1 (Matrix metalloproteinase-1)


J Med Chem 42: 4890-908 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50043224
PNG
(3-Mercapto-4-[2-(4-methoxy-phenyl)-1-methylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@H](S)CC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N2O5S/c1-18(2)14-22(24(35)16-25(30)34-17-20-8-6-5-7-9-20)26(31)29-23(27(32)28-3)15-19-10-12-21(33-4)13-11-19/h5-13,18,22-24,35H,14-17H2,1-4H3,(H,28,32)(H,29,31)/t22-,23+,24+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.


J Med Chem 36: 4030-9 (1994)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50071263
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-2-oxa-10-aza-bicyclo[...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C22H33N3O5/c1-14(2)12-18-17(21(27)25-29)6-4-5-11-30-16-9-7-15(8-10-16)13-19(22(28)23-3)24-20(18)26/h7-10,14,17-19,29H,4-6,11-13H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t17-,18+,19-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50072574
PNG
((7S,8R,11S)-8-Isobutyl-9-oxo-11-(1H-pyrrole-2-carb...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccc[nH]1)cc2)C(=O)NO
Show InChI InChI=1S/C25H33N3O5/c1-16(2)14-20-19(25(31)28-32)6-3-4-13-33-18-10-8-17(9-11-18)15-22(27-24(20)30)23(29)21-7-5-12-26-21/h5,7-12,16,19-20,22,26,32H,3-4,6,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20+,22-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1 isolated from the culture medium of human skin fibroblasts induced with PMA


Bioorg Med Chem Lett 8: 3251-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082559
PNG
((S)-7-(4-Methoxy-benzenesulfonyl)-5,5-dimethyl-4,4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCOCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H24N2O8S2/c1-16(2)14(15(19)17-20)18(8-9-26-10-11-27(16,21)22)28(23,24)13-6-4-12(25-3)5-7-13/h4-7,14,20H,8-11H2,1-3H3,(H,17,19)/t14-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082540
PNG
((3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H22N2O8S2/c1-15(2)13(14(19)16-20)17(8-10(18)9-26(15,21)22)27(23,24)12-6-4-11(25-3)5-7-12/h4-7,10,13,18,20H,8-9H2,1-3H3,(H,16,19)/t10-,13+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50082538
PNG
((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-1,1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H22N2O7S2/c1-15(2)13(14(18)16-19)17(9-4-10-25(15,20)21)26(22,23)12-7-5-11(24-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).


J Med Chem 42: 4547-62 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104969
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50181006
PNG
((S)-4-(4-(but-3-ynyloxy)phenylsulfonyl)-N-hydroxy-...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCCC#C)cc1
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/h1,6-9,15,21H,5,10-12H2,2-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50081851
PNG
((2R,3R)-3-(cyclopentylmethyl)-2-((1-(dimethylamino...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)C[C@@H]([C@@H](CC1CCCC1)C(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C29H42N4O5S/c1-31(2)26-15-9-14-23-22(26)13-10-16-27(23)39(37,38)32(3)20-25(28(34)30-36)24(19-21-11-5-6-12-21)29(35)33-17-7-4-8-18-33/h9-10,13-16,21,24-25,36H,4-8,11-12,17-20H2,1-3H3,(H,30,34)/t24-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of HFC MMP-1


Bioorg Med Chem Lett 9: 2887-92 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Activity against Matrix metalloproteinase-1 (MMP-1).


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant interstitial collagenase MMP-1 at 100 uM


Citation and Details
More data for this
Ligand-Target Pair
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