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PubMed code 11150165

Compile Data Set for Download or QSAR

Found 228 hits of Enzyme Inhibition Constant Data   
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
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095584
PNG
(4-(2-Benzyloxy-3-phenyl-propionylamino)-1-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](Cc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C28H31N3O7S/c1-37-23-12-14-24(15-13-23)39(35,36)31-18-22(17-25(31)27(32)30-34)29-28(33)26(16-20-8-4-2-5-9-20)38-19-21-10-6-3-7-11-21/h2-15,22,25-26,34H,16-19H2,1H3,(H,29,33)(H,30,32)/t22-,25+,26-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095573
PNG
(4-(3-Methyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-prop...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O
Show InChI InChI=1S/C18H24N4O7S/c1-3-8-29-13-4-6-14(7-5-13)30(27,28)21-10-12(9-15(21)17(24)19-26)22-16(23)11-20(2)18(22)25/h4-7,11-12,15,23,26H,3,8-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095538
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(3-methyl-2,5-dioxo...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O
Show InChI InChI=1S/C19H26N4O7S/c1-3-4-9-30-14-5-7-15(8-6-14)31(28,29)22-11-13(10-16(22)18(25)20-27)23-17(24)12-21(2)19(23)26/h5-8,12-13,16,24,27H,3-4,9-11H2,1-2H3,(H,20,25)/t13-,16+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095576
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O
Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095581
PNG
(4-(2-Benzyloxy-propionylamino)-1-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)OCc1ccccc1
Show InChI InChI=1S/C22H27N3O7S/c1-15(32-14-16-6-4-3-5-7-16)21(26)23-17-12-20(22(27)24-28)25(13-17)33(29,30)19-10-8-18(31-2)9-11-19/h3-11,15,17,20,28H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t15-,17-,20+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095560
PNG
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-butox...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O
Show InChI InChI=1S/C21H28N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h4,6-9,14-15,18,26,29H,2-3,5,10-13H2,1H3,(H,22,27)/t15-,18+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095554
PNG
(4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-1-(4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCS1(=O)=O
Show InChI InChI=1S/C15H21N3O7S2/c1-25-12-3-5-13(6-4-12)27(23,24)18-10-11(9-14(18)15(19)16-20)17-7-2-8-26(17,21)22/h3-6,11,14,20H,2,7-10H2,1H3,(H,16,19)/t11-,14+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095576
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2,5-dioxo-3-propyl...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CCC)c1=O
Show InChI InChI=1S/C21H30N4O7S/c1-3-5-11-32-16-6-8-17(9-7-16)33(30,31)24-13-15(12-18(24)20(27)22-29)25-19(26)14-23(10-4-2)21(25)28/h6-9,14-15,18,26,29H,3-5,10-13H2,1-2H3,(H,22,27)/t15-,18+/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 matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095546
PNG
(4-Piperidin-1-yl-1-(4-propoxy-benzenesulfonyl)-pyr...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1
Show InChI InChI=1S/C19H29N3O5S/c1-2-12-27-16-6-8-17(9-7-16)28(25,26)22-14-15(13-18(22)19(23)20-24)21-10-4-3-5-11-21/h6-9,15,18,24H,2-5,10-14H2,1H3,(H,20,23)/t15-,18+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095558
PNG
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-propo...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O
Show InChI InChI=1S/C20H26N4O7S/c1-3-9-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)32(29,30)16-7-5-15(6-8-16)31-10-4-2/h3,5-8,13-14,17,25,28H,1,4,9-12H2,2H3,(H,21,26)/t14-,17+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095579
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(3-methyl-2,5-diox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O
Show InChI InChI=1S/C16H20N4O7S/c1-18-9-14(21)20(16(18)23)10-7-13(15(22)17-24)19(8-10)28(25,26)12-5-3-11(27-2)4-6-12/h3-6,9-10,13,21,24H,7-8H2,1-2H3,(H,17,22)/t10-,13+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095580
PNG
(4-(Methanesulfonyl-methyl-amino)-1-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(C)S(C)(=O)=O
Show InChI InChI=1S/C14H21N3O7S2/c1-16(25(3,20)21)10-8-13(14(18)15-19)17(9-10)26(22,23)12-6-4-11(24-2)5-7-12/h4-7,10,13,19H,8-9H2,1-3H3,(H,15,18)/t10-,13+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095540
PNG
(4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/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
Inhibition of matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095540
PNG
(4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095541
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-morpholin-4-yl-pyrr...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1
Show InChI InChI=1S/C19H29N3O6S/c1-2-3-10-28-16-4-6-17(7-5-16)29(25,26)22-14-15(13-18(22)19(23)20-24)21-8-11-27-12-9-21/h4-7,15,18,24H,2-3,8-14H2,1H3,(H,20,23)/t15-,18+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095570
PNG
(4-(3-Methyl-2,5-dioxo-imidazolidin-1-yl)-1-[4-(pyr...)
Show SMILES Cn1cc(O)n([C@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C(=O)NO)c1=O
Show InChI InChI=1S/C20H21N5O7S/c1-23-12-18(26)25(20(23)28)13-10-17(19(27)22-29)24(11-13)33(30,31)16-4-2-14(3-5-16)32-15-6-8-21-9-7-15/h2-9,12-13,17,26,29H,10-11H2,1H3,(H,22,27)/t13-,17+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095578
PNG
(4-Morpholin-4-yl-1-(4-pentyl-benzenesulfonyl)-pyrr...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1
Show InChI InChI=1S/C20H31N3O5S/c1-2-3-4-5-16-6-8-18(9-7-16)29(26,27)23-15-17(14-19(23)20(24)21-25)22-10-12-28-13-11-22/h6-9,17,19,25H,2-5,10-15H2,1H3,(H,21,24)/t17-,19+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095567
PNG
((1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOX...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
Show InChI InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095547
PNG
(4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O
Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/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 matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095593
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC
Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/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 human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095589
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-3-methyl...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@@H](O)C(C)C
Show InChI InChI=1S/C20H31N3O7S/c1-4-5-10-30-15-6-8-16(9-7-15)31(28,29)23-12-14(11-17(23)19(25)22-27)21-20(26)18(24)13(2)3/h6-9,13-14,17-18,24,27H,4-5,10-12H2,1-3H3,(H,21,26)(H,22,25)/t14-,17+,18-/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095592
PNG
(4-Methanesulfonylamino-1-[4-(pyridin-4-yloxy)-benz...)
Show SMILES CS(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO
Show InChI InChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095569
PNG
(4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benz...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095558
PNG
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-(4-propo...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O
Show InChI InChI=1S/C20H26N4O7S/c1-3-9-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)32(29,30)16-7-5-15(6-8-16)31-10-4-2/h3,5-8,13-14,17,25,28H,1,4,9-12H2,2H3,(H,21,26)/t14-,17+/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 matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095569
PNG
(4-(Methanesulfonyl-propyl-amino)-1-(4-methoxy-benz...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C16H25N3O7S2/c1-4-9-18(27(3,22)23)12-10-15(16(20)17-21)19(11-12)28(24,25)14-7-5-13(26-2)6-8-14/h5-8,12,15,21H,4,9-11H2,1-3H3,(H,17,20)/t12-,15+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095567
PNG
((1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOX...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
Show InChI InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/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 matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095562
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(1,1-dioxo-1lambda*...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C19H29N3O7S2/c1-2-3-10-29-16-4-6-17(7-5-16)31(27,28)22-14-15(13-18(22)19(23)20-24)21-8-11-30(25,26)12-9-21/h4-7,15,18,24H,2-3,8-14H2,1H3,(H,20,23)/t15-,18+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095590
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-4-methyl...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C21H33N3O7S/c1-4-5-10-31-16-6-8-17(9-7-16)32(29,30)24-13-15(12-18(24)20(26)23-28)22-21(27)19(25)11-14(2)3/h6-9,14-15,18-19,25,28H,4-5,10-13H2,1-3H3,(H,22,27)(H,23,26)/t15-,18+,19-/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095582
PNG
(1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1
Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095568
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-propiony...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)O
Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(26,27)21-11-13(19-17(23)12(2)22)10-16(21)18(24)20-25/h5-8,12-13,16,22,25H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095542
PNG
(1-[4-(2-Methoxy-ethoxy)-benzenesulfonyl]-4-(3-meth...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O
Show InChI InChI=1S/C18H24N4O8S/c1-20-11-16(23)22(18(20)25)12-9-15(17(24)19-26)21(10-12)31(27,28)14-5-3-13(4-6-14)30-8-7-29-2/h3-6,11-12,15,23,26H,7-10H2,1-2H3,(H,19,24)/t12-,15+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095583
PNG
(4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1
Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095594
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-phenethylamino-pyr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NCCc1ccccc1
Show InChI InChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095547
PNG
(4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O
Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095586
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-1-(4-m...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C16H23N3O7S2/c1-26-13-2-4-14(5-3-13)28(24,25)19-11-12(10-15(19)16(20)17-21)18-6-8-27(22,23)9-7-18/h2-5,12,15,21H,6-11H2,1H3,(H,17,20)/t12-,15+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095543
PNG
(1'-(4-Propoxy-benzenesulfonyl)-[1,3']bipyrrolidiny...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCC1
Show InChI InChI=1S/C18H27N3O5S/c1-2-11-26-15-5-7-16(8-6-15)27(24,25)21-13-14(20-9-3-4-10-20)12-17(21)18(22)19-23/h5-8,14,17,23H,2-4,9-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095551
PNG
(4-(2-Hydroxy-propionylamino)-1-(4-propoxy-benzenes...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](C)O
Show InChI InChI=1S/C17H25N3O7S/c1-3-8-27-13-4-6-14(7-5-13)28(25,26)20-10-12(18-16(22)11(2)21)9-15(20)17(23)19-24/h4-7,11-12,15,21,24H,3,8-10H2,1-2H3,(H,18,22)(H,19,23)/t11-,12-,15+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095594
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-phenethylamino-pyr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NCCc1ccccc1
Show InChI InChI=1S/C20H25N3O5S/c1-28-17-7-9-18(10-8-17)29(26,27)23-14-16(13-19(23)20(24)22-25)21-12-11-15-5-3-2-4-6-15/h2-10,16,19,21,25H,11-14H2,1H3,(H,22,24)/t16-,19+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095544
PNG
(4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095564
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-piperidin-1-yl-pyr...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1
Show InChI InChI=1S/C17H25N3O5S/c1-25-14-5-7-15(8-6-14)26(23,24)20-12-13(11-16(20)17(21)18-22)19-9-3-2-4-10-19/h5-8,13,16,22H,2-4,9-12H2,1H3,(H,18,21)/t13-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095555
PNG
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-[4-(2-me...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O
Show InChI InChI=1S/C20H26N4O8S/c1-3-8-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)33(29,30)16-6-4-15(5-7-16)32-10-9-31-2/h3-7,13-14,17,25,28H,1,8-12H2,2H3,(H,21,26)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095555
PNG
(4-(3-Allyl-2,5-dioxo-imidazolidin-1-yl)-1-[4-(2-me...)
Show SMILES COCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(CC=C)c1=O
Show InChI InChI=1S/C20H26N4O8S/c1-3-8-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)33(29,30)16-6-4-15(5-7-16)32-10-9-31-2/h3-7,13-14,17,25,28H,1,8-12H2,2H3,(H,21,26)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50095547
PNG
(4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...)
Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O
Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095549
PNG
(4-(2,5-Dioxo-3-propyl-imidazolidin-1-yl)-1-[4-(2-m...)
Show SMILES CCCn1cc(O)n([C@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(OCCOC)cc2)C(=O)NO)c1=O
Show InChI InChI=1S/C20H28N4O8S/c1-3-8-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)33(29,30)16-6-4-15(5-7-16)32-10-9-31-2/h4-7,13-14,17,25,28H,3,8-12H2,1-2H3,(H,21,26)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095549
PNG
(4-(2,5-Dioxo-3-propyl-imidazolidin-1-yl)-1-[4-(2-m...)
Show SMILES CCCn1cc(O)n([C@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(OCCOC)cc2)C(=O)NO)c1=O
Show InChI InChI=1S/C20H28N4O8S/c1-3-8-22-13-18(25)24(20(22)27)14-11-17(19(26)21-28)23(12-14)33(29,30)16-6-4-15(5-7-16)32-10-9-31-2/h4-7,13-14,17,25,28H,3,8-12H2,1-2H3,(H,21,26)/t14-,17+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095584
PNG
(4-(2-Benzyloxy-3-phenyl-propionylamino)-1-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)[C@H](Cc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C28H31N3O7S/c1-37-23-12-14-24(15-13-23)39(35,36)31-18-22(17-25(31)27(32)30-34)29-28(33)26(16-20-8-4-2-5-9-20)38-19-21-10-6-3-7-11-21/h2-15,22,25-26,34H,16-19H2,1H3,(H,29,33)(H,30,32)/t22-,25+,26-/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50095548
PNG
(4-Methanesulfonylamino-1-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-9(15-24(2,19)20)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50095548
PNG
(4-Methanesulfonylamino-1-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-9(15-24(2,19)20)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50095538
PNG
(1-(4-Butoxy-benzenesulfonyl)-4-(3-methyl-2,5-dioxo...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)n1c(O)cn(C)c1=O
Show InChI InChI=1S/C19H26N4O7S/c1-3-4-9-30-14-5-7-15(8-6-14)31(28,29)22-11-13(10-16(22)18(25)20-27)23-17(24)12-21(2)19(23)26/h5-8,12-13,16,24,27H,3-4,9-11H2,1-2H3,(H,20,25)/t13-,16+/m0/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (stromelysin)

J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 228 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%