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PubMed code 11454461

Compile data set for download or QSAR
Found 111 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))		BDBM50101725
PNG
(CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)|
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/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 concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101725
PNG
(CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)|
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/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 concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101729
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|
Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/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 concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101729
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|
Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/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 concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101730
PNG
(CHEMBL59472 | {3-[(Z)-tert-Butoxyimino]-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCC\C(C1)=N\OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H32N2O6S/c1-25(2,3)33-26-20-7-5-6-19(16-20)23(24(28)29)27-34(30,31)22-14-10-18(11-15-22)17-8-12-21(32-4)13-9-17/h8-15,19,23,27H,5-7,16H2,1-4H3,(H,28,29)/b26-20-
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101717
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...)
Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)|
Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101716
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-(3-phenylami...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-14-10-19(11-15-24)20-12-16-25(17-13-20)35(32,33)29-26(27(30)31)21-6-5-9-23(18-21)28-22-7-3-2-4-8-22/h2-4,7-8,10-17,21,23,26,28-29H,5-6,9,18H2,1H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101712
PNG
(CHEMBL300375 | {3-[Benzyl-(2-methoxy-ethoxycarbony...)
Show SMILES COCCOC(=O)N(Cc1ccccc1)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C32H38N2O8S/c1-40-19-20-42-32(37)34(22-23-7-4-3-5-8-23)27-10-6-9-26(21-27)30(31(35)36)33-43(38,39)29-17-13-25(14-18-29)24-11-15-28(41-2)16-12-24/h3-5,7-8,11-18,26-27,30,33H,6,9-10,19-22H2,1-2H3,(H,35,36)
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n/an/a 6n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101715
PNG
((4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)|
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-15-9-21(10-16-25)22-11-17-26(18-12-22)36(33,34)30-27(28(31)32)23-7-13-24(14-8-23)29-19-20-5-3-2-4-6-20/h2-6,9-12,15-18,23-24,27,29-30H,7-8,13-14,19H2,1H3,(H,31,32)/t23?,24?,27-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101730
PNG
(CHEMBL59472 | {3-[(Z)-tert-Butoxyimino]-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCC\C(C1)=N\OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H32N2O6S/c1-25(2,3)33-26-20-7-5-6-19(16-20)23(24(28)29)27-34(30,31)22-14-10-18(11-15-22)17-8-12-21(32-4)13-9-17/h8-15,19,23,27H,5-7,16H2,1-4H3,(H,28,29)/b26-20-
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101721
PNG
(CHEMBL293019 | Cyclohexyl-((S)-4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-27-18-11-7-15(8-12-18)16-9-13-19(14-10-16)28(25,26)22-20(21(23)24)17-5-3-2-4-6-17/h7-14,17,20,22H,2-6H2,1H3,(H,23,24)/t20-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101716
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-(3-phenylami...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-14-10-19(11-15-24)20-12-16-25(17-13-20)35(32,33)29-26(27(30)31)21-6-5-9-23(18-21)28-22-7-3-2-4-8-22/h2-4,7-8,10-17,21,23,26,28-29H,5-6,9,18H2,1H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101720
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-(4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101733
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(Z)-meth...)
Show SMILES CO\N=C1\CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H26N2O6S/c1-29-19-10-6-15(7-11-19)16-8-12-20(13-9-16)31(27,28)24-21(22(25)26)17-4-3-5-18(14-17)23-30-2/h6-13,17,21,24H,3-5,14H2,1-2H3,(H,25,26)/b23-18-
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n/an/a 9n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101719
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-[3-(2-oxo-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C24H28N2O7S/c1-32-20-9-5-16(6-10-20)17-7-11-21(12-8-17)34(30,31)25-22(23(27)28)18-3-2-4-19(15-18)26-13-14-33-24(26)29/h5-12,18-19,22,25H,2-4,13-15H2,1H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101719
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-[3-(2-oxo-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C24H28N2O7S/c1-32-20-9-5-16(6-10-20)17-7-11-21(12-8-17)34(30,31)25-22(23(27)28)18-3-2-4-19(15-18)26-13-14-33-24(26)29/h5-12,18-19,22,25H,2-4,13-15H2,1H3,(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101727
PNG
(CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)
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n/an/a 12n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101735
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)|
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101720
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-(4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)
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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101722
PNG
((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101734
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-((R)-4'-methoxy-bip...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H]([C@@H]1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)/t18-,21+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101718
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...)
Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)|
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101713
PNG
((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101712
PNG
(CHEMBL300375 | {3-[Benzyl-(2-methoxy-ethoxycarbony...)
Show SMILES COCCOC(=O)N(Cc1ccccc1)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C32H38N2O8S/c1-40-19-20-42-32(37)34(22-23-7-4-3-5-8-23)27-10-6-9-26(21-27)30(31(35)36)33-43(38,39)29-17-13-25(14-18-29)24-11-15-28(41-2)16-12-24/h3-5,7-8,11-18,26-27,30,33H,6,9-10,19-22H2,1-2H3,(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50451194
PNG
(CHEMBL2115084)
Show SMILES [H][C@@]1(CCCC2(C1)OCCO2)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)/t18-,21-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101726
PNG
(CHEMBL305160 | [3-(Methanesulfonyl-methyl-amino)-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(C)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H30N2O7S2/c1-25(33(3,28)29)19-6-4-5-18(15-19)22(23(26)27)24-34(30,31)21-13-9-17(10-14-21)16-7-11-20(32-2)12-8-16/h7-14,18-19,22,24H,4-6,15H2,1-3H3,(H,26,27)
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101717
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...)
Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)|
Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101732
PNG
(((R)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O |wU:19.21,wD:18.19,22.27,(19.04,3.61,;17.7,4.37,;16.37,3.58,;16.37,2.04,;15.04,1.27,;13.71,2.04,;13.71,3.58,;15.01,4.37,;12.37,1.27,;12.37,-.29,;11.04,-1.05,;9.71,-.29,;9.71,1.25,;11.04,2.04,;8.36,-1.05,;7.27,-2.15,;9.45,-2.15,;7.01,-.29,;5.68,-1.05,;5.68,-2.62,;7.01,-3.36,;7.01,-4.9,;5.66,-5.68,;4.35,-4.9,;4.35,-3.36,;5.68,-7.22,;7.01,-7.99,;4.35,-8.02,;4.35,-9.55,;3.01,-7.25,;1.68,-8.02,;.35,-7.25,;.35,-5.7,;1.68,-4.92,;3.01,-5.7,;4.35,-.29,;3.01,-1.05,;4.35,1.25,)|
Show InChI InChI=1S/C27H35N3O7S/c1-29(27(33)30-15-17-37-18-16-30)22-9-3-21(4-10-22)25(26(31)32)28-38(34,35)24-13-7-20(8-14-24)19-5-11-23(36-2)12-6-19/h5-8,11-14,21-22,25,28H,3-4,9-10,15-18H2,1-2H3,(H,31,32)/t21-,22-,25-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101733
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(Z)-meth...)
Show SMILES CO\N=C1\CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H26N2O6S/c1-29-19-10-6-15(7-11-19)16-8-12-20(13-9-16)31(27,28)24-21(22(25)26)17-4-3-5-18(14-17)23-30-2/h6-13,17,21,24H,3-5,14H2,1-2H3,(H,25,26)/b23-18-
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101715
PNG
((4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)|
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-15-9-21(10-16-25)22-11-17-26(18-12-22)36(33,34)30-27(28(31)32)23-7-13-24(14-8-23)29-19-20-5-3-2-4-6-20/h2-6,9-12,15-18,23-24,27,29-30H,7-8,13-14,19H2,1H3,(H,31,32)/t23?,24?,27-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101718
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...)
Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)|
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101725
PNG
(CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)|
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101735
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)|
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101726
PNG
(CHEMBL305160 | [3-(Methanesulfonyl-methyl-amino)-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(C)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H30N2O7S2/c1-25(33(3,28)29)19-6-4-5-18(15-19)22(23(26)27)24-34(30,31)21-13-9-17(10-14-21)16-7-11-20(32-2)12-8-16/h7-14,18-19,22,24H,4-6,15H2,1-3H3,(H,26,27)
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n/an/a 29n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101727
PNG
(CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)
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n/an/a 32n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101736
PNG
((R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@@H](CC1)N1CCCC1=O)C(O)=O |wU:19.26,wD:18.19,22.27,(22.1,2.89,;20.76,3.64,;19.44,2.87,;18.08,3.64,;16.76,2.87,;16.77,1.32,;18.11,.56,;19.44,1.32,;15.45,.56,;14.11,1.32,;12.79,.53,;12.79,-1.01,;14.11,-1.75,;15.45,-1.01,;11.45,-1.75,;12.52,-2.86,;10.34,-2.86,;10.11,-1.01,;8.78,-1.75,;8.78,-3.32,;10.11,-4.06,;10.11,-5.6,;8.75,-6.37,;7.43,-5.6,;7.43,-4.06,;8.78,-7.9,;10.01,-8.83,;9.53,-10.29,;7.99,-10.29,;7.52,-8.83,;6.07,-8.33,;7.44,-1.01,;6.09,-1.75,;7.43,.53,)|
Show InChI InChI=1S/C25H30N2O6S/c1-33-21-12-6-17(7-13-21)18-8-14-22(15-9-18)34(31,32)26-24(25(29)30)19-4-10-20(11-5-19)27-16-2-3-23(27)28/h6-9,12-15,19-20,24,26H,2-5,10-11,16H2,1H3,(H,29,30)/t19-,20-,24-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101728
PNG
(CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)|
Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101721
PNG
(CHEMBL293019 | Cyclohexyl-((S)-4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-27-18-11-7-15(8-12-18)16-9-13-19(14-10-16)28(25,26)22-20(21(23)24)17-5-3-2-4-6-17/h7-14,17,20,22H,2-6H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50101724
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-oxo-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(=O)CC1)C(O)=O
Show InChI InChI=1S/C21H23NO6S/c1-28-18-10-4-14(5-11-18)15-6-12-19(13-7-15)29(26,27)22-20(21(24)25)16-2-8-17(23)9-3-16/h4-7,10-13,16,20,22H,2-3,8-9H2,1H3,(H,24,25)/t20-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101722
PNG
((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101728
PNG
(CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)|
Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101713
PNG
((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)
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n/an/a 67n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101737
PNG
((R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@H](CC1)N(C)C(=O)N1CCOCC1)C(O)=O |wU:22.27,19.21,wD:18.19,(19.06,4.14,;17.73,4.89,;16.38,4.12,;16.38,2.58,;15.06,1.81,;13.73,2.58,;13.73,4.12,;15.03,4.89,;12.39,1.81,;12.39,.23,;11.05,-.52,;9.72,.23,;9.72,1.79,;11.05,2.58,;8.39,-.52,;7.28,-1.62,;9.47,-1.62,;7.02,.23,;5.69,-.52,;5.69,-2.08,;7.02,-2.83,;7.02,-4.38,;5.67,-5.16,;4.36,-4.38,;4.36,-2.83,;5.69,-6.69,;7.02,-7.46,;4.36,-7.49,;4.36,-9.04,;3.03,-6.72,;1.69,-7.49,;.36,-6.72,;.36,-5.18,;1.69,-4.4,;3.03,-5.18,;4.36,.23,;3.03,-.52,;4.36,1.79,)|
Show InChI InChI=1S/C27H35N3O7S/c1-29(27(33)30-15-17-37-18-16-30)22-9-3-21(4-10-22)25(26(31)32)28-38(34,35)24-13-7-20(8-14-24)19-5-11-23(36-2)12-6-19/h5-8,11-14,21-22,25,28H,3-4,9-10,15-18H2,1-2H3,(H,31,32)/t21-,22+,25-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101729
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|
Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101731
PNG
((R)-(4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]([C@H]1CC[C@H](CC1)N1CCCC1=O)C(O)=O |wU:22.27,19.26,wD:18.19,(22.1,2.89,;20.76,3.64,;19.44,2.87,;18.08,3.64,;16.76,2.87,;16.77,1.32,;18.11,.56,;19.44,1.32,;15.45,.56,;14.11,1.32,;12.79,.53,;12.79,-1.01,;14.11,-1.75,;15.45,-1.01,;11.45,-1.75,;12.52,-2.86,;10.34,-2.86,;10.11,-1.01,;8.78,-1.75,;8.78,-3.32,;10.11,-4.06,;10.11,-5.6,;8.75,-6.37,;7.43,-5.6,;7.43,-4.06,;8.78,-7.9,;10.01,-8.83,;9.53,-10.29,;7.99,-10.29,;7.52,-8.83,;6.07,-8.33,;7.44,-1.01,;6.09,-1.75,;7.43,.53,)|
Show InChI InChI=1S/C25H30N2O6S/c1-33-21-12-6-17(7-13-21)18-8-14-22(15-9-18)34(31,32)26-24(25(29)30)19-4-10-20(11-5-19)27-16-2-3-23(27)28/h6-9,12-15,19-20,24,26H,2-5,10-11,16H2,1H3,(H,29,30)/t19-,20+,24-/m1/s1
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50101724
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-oxo-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(=O)CC1)C(O)=O
Show InChI InChI=1S/C21H23NO6S/c1-28-18-10-4-14(5-11-18)15-6-12-19(13-7-15)29(26,27)22-20(21(24)25)16-2-8-17(23)9-3-16/h4-7,10-13,16,20,22H,2-3,8-9H2,1H3,(H,24,25)/t20-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101712
PNG
(CHEMBL300375 | {3-[Benzyl-(2-methoxy-ethoxycarbony...)
Show SMILES COCCOC(=O)N(Cc1ccccc1)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C32H38N2O8S/c1-40-19-20-42-32(37)34(22-23-7-4-3-5-8-23)27-10-6-9-26(21-27)30(31(35)36)33-43(38,39)29-17-13-25(14-18-29)24-11-15-28(41-2)16-12-24/h3-5,7-8,11-18,26-27,30,33H,6,9-10,19-22H2,1-2H3,(H,35,36)
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
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n/an/a 230n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101716
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-(3-phenylami...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-14-10-19(11-15-24)20-12-16-25(17-13-20)35(32,33)29-26(27(30)31)21-6-5-9-23(18-21)28-22-7-3-2-4-8-22/h2-4,7-8,10-17,21,23,26,28-29H,5-6,9,18H2,1H3,(H,30,31)
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n/an/a 250n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101725
PNG
(CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)|
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/s1
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n/an/a 284n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101730
PNG
(CHEMBL59472 | {3-[(Z)-tert-Butoxyimino]-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCC\C(C1)=N\OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H32N2O6S/c1-25(2,3)33-26-20-7-5-6-19(16-20)23(24(28)29)27-34(30,31)22-14-10-18(11-15-22)17-8-12-21(32-4)13-9-17/h8-15,19,23,27H,5-7,16H2,1-4H3,(H,28,29)/b26-20-
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101719
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-[3-(2-oxo-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C24H28N2O7S/c1-32-20-9-5-16(6-10-20)17-7-11-21(12-8-17)34(30,31)25-22(23(27)28)18-3-2-4-19(15-18)26-13-14-33-24(26)29/h5-12,18-19,22,25H,2-4,13-15H2,1H3,(H,27,28)
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n/an/a 410n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101727
PNG
(CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)
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n/an/a 500n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101717
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...)
Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)|
Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101726
PNG
(CHEMBL305160 | [3-(Methanesulfonyl-methyl-amino)-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(C)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H30N2O7S2/c1-25(33(3,28)29)19-6-4-5-18(15-19)22(23(26)27)24-34(30,31)21-13-9-17(10-14-21)16-7-11-20(32-2)12-8-16/h7-14,18-19,22,24H,4-6,15H2,1-3H3,(H,26,27)
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n/an/a 560n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101718
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...)
Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)|
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101720
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-(4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)
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n/an/a 630n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101715
PNG
((4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)|
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-15-9-21(10-16-25)22-11-17-26(18-12-22)36(33,34)30-27(28(31)32)23-7-13-24(14-8-23)29-19-20-5-3-2-4-6-20/h2-6,9-12,15-18,23-24,27,29-30H,7-8,13-14,19H2,1H3,(H,31,32)/t23?,24?,27-/m1/s1
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n/an/a 783n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101725
PNG
(CHEMBL300771 | [4-(Acetyl-benzyl-amino)-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N(Cc1ccccc1)C(C)=O)C(O)=O |wD:18.19,(17.8,3.17,;16.46,3.94,;15.13,3.17,;15.14,1.61,;13.81,.84,;12.48,1.61,;12.47,3.14,;13.79,3.92,;11.15,.83,;11.15,-.71,;9.81,-1.48,;8.48,-.71,;8.48,.83,;9.81,1.6,;7.15,-1.48,;8.24,-2.57,;6.05,-2.57,;5.81,-.71,;4.46,-1.48,;4.48,-3.02,;5.81,-3.78,;5.79,-5.32,;4.46,-6.09,;3.13,-5.32,;3.13,-3.79,;4.46,-7.63,;5.79,-8.41,;5.79,-9.95,;7.12,-10.71,;7.12,-12.23,;5.79,-13.02,;4.44,-12.23,;4.44,-10.71,;3.13,-8.4,;3.13,-9.94,;1.8,-7.63,;3.13,-.71,;1.8,-1.48,;3.13,.83,)|
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-6-4-3-5-7-22)26-14-8-25(9-15-26)29(30(34)35)31-39(36,37)28-18-12-24(13-19-28)23-10-16-27(38-2)17-11-23/h3-7,10-13,16-19,25-26,29,31H,8-9,14-15,20H2,1-2H3,(H,34,35)/t25?,26?,29-/m1/s1
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n/an/a 845n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101713
PNG
((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)
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n/an/a 860n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101733
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(Z)-meth...)
Show SMILES CO\N=C1\CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H26N2O6S/c1-29-19-10-6-15(7-11-19)16-8-12-20(13-9-16)31(27,28)24-21(22(25)26)17-4-3-5-18(14-17)23-30-2/h6-13,17,21,24H,3-5,14H2,1-2H3,(H,25,26)/b23-18-
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n/an/a 1.25E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101735
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)|
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/m1/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101722
PNG
((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101721
PNG
(CHEMBL293019 | Cyclohexyl-((S)-4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-27-18-11-7-15(8-12-18)16-9-13-19(14-10-16)28(25,26)22-20(21(23)24)17-5-3-2-4-6-17/h7-14,17,20,22H,2-6H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101716
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-(3-phenylami...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-14-10-19(11-15-24)20-12-16-25(17-13-20)35(32,33)29-26(27(30)31)21-6-5-9-23(18-21)28-22-7-3-2-4-8-22/h2-4,7-8,10-17,21,23,26,28-29H,5-6,9,18H2,1H3,(H,30,31)
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n/an/a 2.19E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101729
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|
Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/s1
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n/an/a 3.31E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101720
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-(4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101730
PNG
(CHEMBL59472 | {3-[(Z)-tert-Butoxyimino]-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCC\C(C1)=N\OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H32N2O6S/c1-25(2,3)33-26-20-7-5-6-19(16-20)23(24(28)29)27-34(30,31)22-14-10-18(11-15-22)17-8-12-21(32-4)13-9-17/h8-15,19,23,27H,5-7,16H2,1-4H3,(H,28,29)/b26-20-
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n/an/a 4.11E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101733
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(Z)-meth...)
Show SMILES CO\N=C1\CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H26N2O6S/c1-29-19-10-6-15(7-11-19)16-8-12-20(13-9-16)31(27,28)24-21(22(25)26)17-4-3-5-18(14-17)23-30-2/h6-13,17,21,24H,3-5,14H2,1-2H3,(H,25,26)/b23-18-
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n/an/a 4.13E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101717
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...)
Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)|
Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/m1/s1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101721
PNG
(CHEMBL293019 | Cyclohexyl-((S)-4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-27-18-11-7-15(8-12-18)16-9-13-19(14-10-16)28(25,26)22-20(21(23)24)17-5-3-2-4-6-17/h7-14,17,20,22H,2-6H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 4.35E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101727
PNG
(CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)
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n/an/a 4.45E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101726
PNG
(CHEMBL305160 | [3-(Methanesulfonyl-methyl-amino)-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(C)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H30N2O7S2/c1-25(33(3,28)29)19-6-4-5-18(15-19)22(23(26)27)24-34(30,31)21-13-9-17(10-14-21)16-7-11-20(32-2)12-8-16/h7-14,18-19,22,24H,4-6,15H2,1-3H3,(H,26,27)
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n/an/a 4.66E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101724
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-oxo-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(=O)CC1)C(O)=O
Show InChI InChI=1S/C21H23NO6S/c1-28-18-10-4-14(5-11-18)15-6-12-19(13-7-15)29(26,27)22-20(21(24)25)16-2-8-17(23)9-3-16/h4-7,10-13,16,20,22H,2-3,8-9H2,1H3,(H,24,25)/t20-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
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n/an/a 4.73E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101729
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|
Show InChI InChI=1S/C24H29N3O6S/c1-33-20-10-4-16(5-11-20)17-6-12-21(13-7-17)34(31,32)26-22(23(28)29)18-2-8-19(9-3-18)27-15-14-25-24(27)30/h4-7,10-13,18-19,22,26H,2-3,8-9,14-15H2,1H3,(H,25,30)(H,28,29)/t18?,19?,22-/m1/s1
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n/an/a 4.79E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101730
PNG
(CHEMBL59472 | {3-[(Z)-tert-Butoxyimino]-cyclohexyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCC\C(C1)=N\OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C25H32N2O6S/c1-25(2,3)33-26-20-7-5-6-19(16-20)23(24(28)29)27-34(30,31)22-14-10-18(11-15-22)17-8-12-21(32-4)13-9-17/h8-15,19,23,27H,5-7,16H2,1-4H3,(H,28,29)/b26-20-
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n/an/a 5.15E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101712
PNG
(CHEMBL300375 | {3-[Benzyl-(2-methoxy-ethoxycarbony...)
Show SMILES COCCOC(=O)N(Cc1ccccc1)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C32H38N2O8S/c1-40-19-20-42-32(37)34(22-23-7-4-3-5-8-23)27-10-6-9-26(21-27)30(31(35)36)33-43(38,39)29-17-13-25(14-18-29)24-11-15-28(41-2)16-12-24/h3-5,7-8,11-18,26-27,30,33H,6,9-10,19-22H2,1-2H3,(H,35,36)
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n/an/a 5.35E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101722
PNG
((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101716
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-(3-phenylami...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)Nc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-14-10-19(11-15-24)20-12-16-25(17-13-20)35(32,33)29-26(27(30)31)21-6-5-9-23(18-21)28-22-7-3-2-4-8-22/h2-4,7-8,10-17,21,23,26,28-29H,5-6,9,18H2,1H3,(H,30,31)
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n/an/a 5.47E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50101728
PNG
(CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)|
Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/m1/s1
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n/an/a 5.66E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101719
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-[3-(2-oxo-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C24H28N2O7S/c1-32-20-9-5-16(6-10-20)17-7-11-21(12-8-17)34(30,31)25-22(23(27)28)18-3-2-4-19(15-18)26-13-14-33-24(26)29/h5-12,18-19,22,25H,2-4,13-15H2,1H3,(H,27,28)
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n/an/a 5.96E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101712
PNG
(CHEMBL300375 | {3-[Benzyl-(2-methoxy-ethoxycarbony...)
Show SMILES COCCOC(=O)N(Cc1ccccc1)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C32H38N2O8S/c1-40-19-20-42-32(37)34(22-23-7-4-3-5-8-23)27-10-6-9-26(21-27)30(31(35)36)33-43(38,39)29-17-13-25(14-18-29)24-11-15-28(41-2)16-12-24/h3-5,7-8,11-18,26-27,30,33H,6,9-10,19-22H2,1-2H3,(H,35,36)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101715
PNG
((4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)|
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-15-9-21(10-16-25)22-11-17-26(18-12-22)36(33,34)30-27(28(31)32)23-7-13-24(14-8-23)29-19-20-5-3-2-4-6-20/h2-6,9-12,15-18,23-24,27,29-30H,7-8,13-14,19H2,1H3,(H,31,32)/t23?,24?,27-/m1/s1
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n/an/a 6.73E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101718
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...)
Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)|
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1
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n/an/a 7.07E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101727
PNG
(CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O
Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)
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n/an/a 7.91E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101713
PNG
((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)
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n/an/a 7.96E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101722
PNG
((3-Hydroxy-cyclohexyl)-(4'-methoxy-biphenyl-4-sulf...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(O)C1)C(O)=O
Show InChI InChI=1S/C21H25NO6S/c1-28-18-9-5-14(6-10-18)15-7-11-19(12-8-15)29(26,27)22-20(21(24)25)16-3-2-4-17(23)13-16/h5-12,16-17,20,22-23H,2-4,13H2,1H3,(H,24,25)
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n/an/a 7.96E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101735
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)|
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/m1/s1
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n/an/a 8.27E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101719
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-[3-(2-oxo-ox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C24H28N2O7S/c1-32-20-9-5-16(6-10-20)17-7-11-21(12-8-17)34(30,31)25-22(23(27)28)18-3-2-4-19(15-18)26-13-14-33-24(26)29/h5-12,18-19,22,25H,2-4,13-15H2,1H3,(H,27,28)
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n/an/a 8.54E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101724
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-oxo-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(=O)CC1)C(O)=O
Show InChI InChI=1S/C21H23NO6S/c1-28-18-10-4-14(5-11-18)15-6-12-19(13-7-15)29(26,27)22-20(21(24)25)16-2-8-17(23)9-3-16/h4-7,10-13,16,20,22H,2-3,8-9H2,1H3,(H,24,25)/t20-/m1/s1
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n/an/a 8.95E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101717
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-me...)
Show SMILES COCCOC(=O)NC1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:14.15,(12.14,-8.5,;10.81,-9.24,;9.48,-8.47,;8.12,-9.24,;6.79,-8.47,;5.46,-9.24,;5.46,-10.79,;4.12,-8.47,;4.12,-6.93,;5.46,-6.16,;5.48,-4.61,;4.15,-3.84,;2.79,-4.61,;2.79,-6.16,;4.12,-2.3,;5.48,-1.53,;6.81,-2.3,;5.71,-3.4,;7.91,-3.4,;8.14,-1.53,;9.48,-2.3,;10.83,-1.53,;10.83,.02,;9.48,.79,;8.14,.02,;12.17,.79,;12.14,2.33,;13.48,3.1,;14.81,2.35,;16.14,3.13,;17.5,2.35,;14.83,.79,;13.5,.02,;2.79,-1.53,;1.46,-2.3,;2.79,.02,)|
Show InChI InChI=1S/C25H32N2O8S/c1-33-15-16-35-25(30)26-20-9-3-19(4-10-20)23(24(28)29)27-36(31,32)22-13-7-18(8-14-22)17-5-11-21(34-2)12-6-17/h5-8,11-14,19-20,23,27H,3-4,9-10,15-16H2,1-2H3,(H,26,30)(H,28,29)/t19?,20?,23-/m1/s1
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n/an/a 9.13E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101718
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-{4-[(2-m...)
Show SMILES COCCOC(=O)N(C)C1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O |wD:15.16,(11.95,-8.85,;10.62,-9.6,;9.29,-8.83,;7.94,-9.6,;6.61,-8.83,;5.28,-9.6,;5.28,-11.14,;3.95,-8.83,;2.61,-9.6,;3.95,-7.29,;2.62,-6.52,;2.62,-4.98,;3.97,-4.21,;5.3,-4.98,;5.28,-6.52,;3.95,-2.67,;5.3,-1.9,;6.63,-2.67,;7.72,-3.76,;5.54,-3.76,;7.96,-1.9,;7.96,-.36,;9.29,.41,;10.64,-.36,;10.64,-1.9,;9.29,-2.67,;11.97,.41,;11.95,1.95,;13.28,2.72,;14.61,1.98,;15.94,2.75,;17.29,1.98,;14.63,.41,;13.3,-.36,;2.62,-1.9,;1.29,-2.67,;2.62,-.36,)|
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-17-16-34-2)21-10-4-20(5-11-21)24(25(29)30)27-37(32,33)23-14-8-19(9-15-23)18-6-12-22(35-3)13-7-18/h6-9,12-15,20-21,24,27H,4-5,10-11,16-17H2,1-3H3,(H,29,30)/t20?,21?,24-/m1/s1
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n/an/a 9.83E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101720
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-(4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101714
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(2-metho...)
Show SMILES COCCOC(=O)N(C)C1CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O8S/c1-28(26(31)36-16-15-34-2)21-6-4-5-20(17-21)24(25(29)30)27-37(32,33)23-13-9-19(10-14-23)18-7-11-22(35-3)12-8-18/h7-14,20-21,24,27H,4-6,15-17H2,1-3H3,(H,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101713
PNG
((3-Benzylamino-cyclohexyl)-(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)NCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-14-10-21(11-15-25)22-12-16-26(17-13-22)36(33,34)30-27(28(31)32)23-8-5-9-24(18-23)29-19-20-6-3-2-4-7-20/h2-4,6-7,10-17,23-24,27,29-30H,5,8-9,18-19H2,1H3,(H,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101726
PNG
(CHEMBL305160 | [3-(Methanesulfonyl-methyl-amino)-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(C)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H30N2O7S2/c1-25(33(3,28)29)19-6-4-5-18(15-19)22(23(26)27)24-34(30,31)21-13-9-17(10-14-21)16-7-11-20(32-2)12-8-16/h7-14,18-19,22,24H,4-6,15H2,1-3H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101715
PNG
((4-Benzylamino-cyclohexyl)-((S)-4'-methoxy-bipheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)NCc1ccccc1)C(O)=O |wD:18.19,(18.21,3.1,;16.87,3.89,;15.54,3.1,;14.19,3.87,;12.88,3.08,;12.89,1.56,;14.22,.79,;15.55,1.56,;11.56,.77,;11.56,-.77,;10.22,-1.54,;8.89,-.77,;8.89,.77,;10.22,1.54,;7.56,-1.54,;8.64,-2.64,;6.46,-2.64,;6.21,-.77,;4.88,-1.54,;4.88,-3.08,;6.21,-3.83,;6.21,-5.37,;4.88,-6.14,;3.55,-5.37,;3.55,-3.85,;4.88,-7.68,;6.21,-8.47,;6.21,-10.01,;7.54,-10.76,;7.54,-12.3,;6.19,-13.07,;4.85,-12.3,;4.86,-10.76,;3.55,-.77,;2.22,-1.54,;3.55,.77,)|
Show InChI InChI=1S/C28H32N2O5S/c1-35-25-15-9-21(10-16-25)22-11-17-26(18-12-22)36(33,34)30-27(28(31)32)23-7-13-24(14-8-23)29-19-20-5-3-2-4-6-20/h2-6,9-12,15-18,23-24,27,29-30H,7-8,13-14,19H2,1H3,(H,31,32)/t23?,24?,27-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101733
PNG
((4'-Methoxy-biphenyl-4-sulfonylamino)-{3-[(Z)-meth...)
Show SMILES CO\N=C1\CCCC(C1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C22H26N2O6S/c1-29-19-10-6-15(7-11-19)16-8-12-20(13-9-16)31(27,28)24-21(22(25)26)17-4-3-5-18(14-17)23-30-2/h6-13,17,21,24H,3-5,14H2,1-2H3,(H,25,26)/b23-18-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101724
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-oxo-c...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(=O)CC1)C(O)=O
Show InChI InChI=1S/C21H23NO6S/c1-28-18-10-4-14(5-11-18)15-6-12-19(13-7-15)29(26,27)22-20(21(24)25)16-2-8-17(23)9-3-16/h4-7,10-13,16,20,22H,2-3,8-9H2,1H3,(H,24,25)/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101728
PNG
(CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)|
Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101721
PNG
(CHEMBL293019 | Cyclohexyl-((S)-4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-27-18-11-7-15(8-12-18)16-9-13-19(14-10-16)28(25,26)22-20(21(23)24)17-5-3-2-4-6-17/h7-14,17,20,22H,2-6H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101735
PNG
(((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-(4-pheny...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)Nc1ccccc1)C(O)=O |wD:18.19,(17.51,2.31,;16.17,3.08,;14.84,2.31,;13.49,3.07,;12.18,2.29,;12.19,.76,;13.52,-.01,;14.85,.76,;10.86,-.02,;10.86,-1.56,;9.52,-2.33,;8.19,-1.56,;8.19,-.02,;9.52,.75,;6.86,-2.33,;7.94,-3.43,;5.76,-3.43,;5.51,-1.56,;4.18,-2.33,;4.18,-3.87,;5.51,-4.63,;5.51,-6.17,;4.18,-6.94,;2.85,-6.17,;2.85,-4.64,;4.18,-8.48,;5.51,-9.26,;6.84,-8.49,;8.17,-9.25,;8.17,-10.8,;6.82,-11.57,;5.49,-10.8,;2.85,-1.56,;1.52,-2.33,;2.85,-.02,)|
Show InChI InChI=1S/C27H30N2O5S/c1-34-24-15-9-19(10-16-24)20-11-17-25(18-12-20)35(32,33)29-26(27(30)31)21-7-13-23(14-8-21)28-22-5-3-2-4-6-22/h2-6,9-12,15-18,21,23,26,28-29H,7-8,13-14H2,1H3,(H,30,31)/t21?,23?,26-/m1/s1
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n/an/a 2.05E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50101728
PNG
(CHEMBL62089 | [4-(2,5-Dioxo-imidazolidin-1-yl)-cyc...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)n1c(O)c[nH]c1=O)C(O)=O |wD:18.19,(16.83,1.91,;15.49,2.68,;14.16,1.91,;14.17,.34,;12.84,-.43,;11.51,.34,;11.5,1.88,;12.82,2.65,;10.18,-.43,;8.84,.34,;7.51,-.43,;7.51,-1.97,;8.84,-2.74,;10.18,-1.97,;6.18,-2.74,;5.09,-3.83,;7.26,-3.83,;4.84,-1.97,;3.5,-2.74,;3.51,-4.28,;2.17,-5.05,;2.17,-6.59,;3.5,-7.36,;4.83,-6.59,;4.84,-5.05,;3.5,-8.9,;4.74,-9.81,;6.21,-9.34,;4.27,-11.28,;2.73,-11.25,;2.26,-9.81,;.79,-9.32,;2.17,-1.97,;.84,-2.74,;2.17,-.43,)|
Show InChI InChI=1S/C24H27N3O7S/c1-34-19-10-4-15(5-11-19)16-6-12-20(13-7-16)35(32,33)26-22(23(29)30)17-2-8-18(9-3-17)27-21(28)14-25-24(27)31/h4-7,10-14,17-18,22,26,28H,2-3,8-9H2,1H3,(H,25,31)(H,29,30)/t17?,18?,22-/m1/s1
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n/an/a 2.29E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM50101723
PNG
((1,5-Dioxa-spiro[5.5]undec-9-yl)-((S)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC2(CC1)OCCCO2)C(O)=O
Show InChI InChI=1S/C24H29NO7S/c1-30-20-7-3-17(4-8-20)18-5-9-21(10-6-18)33(28,29)25-22(23(26)27)19-11-13-24(14-12-19)31-15-2-16-32-24/h3-10,19,22,25H,2,11-16H2,1H3,(H,26,27)/t22-/m1/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%