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Compile Data Set for Download or QSAR

Found 180 hits Enz. Inhib. hit(s) with all data for entry = 50036856   
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))
BDBM50084286
PNG
(2-(4'-Cyano-biphenyl-4-sulfonylamino)-N-hydroxy-3-...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C18H19N3O4S/c1-12(2)17(18(22)20-23)21-26(24,25)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,21,23H,1-2H3,(H,20,22)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084286
PNG
(2-(4'-Cyano-biphenyl-4-sulfonylamino)-N-hydroxy-3-...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C18H19N3O4S/c1-12(2)17(18(22)20-23)21-26(24,25)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,21,23H,1-2H3,(H,20,22)/t17-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084283
PNG
((S)-3-methyl-2-(4'-methyl-biphenyl-4-sulfonylamino...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C18H21NO4S/c1-12(2)17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084291
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-phenylmeth...)
Show SMILES OC(=O)C(CCS(=O)(=O)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrNO6S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)33(30,31)25-22(23(26)27)14-15-32(28,29)16-17-4-2-1-3-5-17/h1-13,22,25H,14-16H2,(H,26,27)
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n/an/a 2n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-9 (MMP-9)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084283
PNG
((S)-3-methyl-2-(4'-methyl-biphenyl-4-sulfonylamino...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C18H21NO4S/c1-12(2)17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084289
PNG
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084304
PNG
((4'-Bromo-biphenyl-4-sulfonylamino)-acetic acid | ...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrNO4S/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(19,20)16-9-14(17)18/h1-8,16H,9H2,(H,17,18)
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084297
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-6-(3-phenyl-...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN2O5S/c28-23-14-10-21(11-15-23)22-12-16-24(17-13-22)36(34,35)30-25(27(32)33)8-4-5-19-29-26(31)18-9-20-6-2-1-3-7-20/h1-3,6-7,10-17,25,30H,4-5,8-9,18-19H2,(H,29,31)(H,32,33)/t25-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084297
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-6-(3-phenyl-...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN2O5S/c28-23-14-10-21(11-15-23)22-12-16-24(17-13-22)36(34,35)30-25(27(32)33)8-4-5-19-29-26(31)18-9-20-6-2-1-3-7-20/h1-3,6-7,10-17,25,30H,4-5,8-9,18-19H2,(H,29,31)(H,32,33)/t25-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8485
PNG
((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084290
PNG
((S)-2-(4'-bromo-2'-fluoro-biphenyl-4-sulfonylamino...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1F)C(O)=O
Show InChI InChI=1S/C17H17BrFNO4S/c1-10(2)16(17(21)22)20-25(23,24)13-6-3-11(4-7-13)14-8-5-12(18)9-15(14)19/h3-10,16,20H,1-2H3,(H,21,22)/t16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12076
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-N-h...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r|
Show InChI InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084281
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C18H20BrNO4S/c1-12(2)11-17(18(21)22)20-25(23,24)16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084286
PNG
(2-(4'-Cyano-biphenyl-4-sulfonylamino)-N-hydroxy-3-...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C18H19N3O4S/c1-12(2)17(18(22)20-23)21-26(24,25)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,21,23H,1-2H3,(H,20,22)/t17-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084295
PNG
(2-(4'-Cyano-biphenyl-4-sulfonylamino)-3-methyl-but...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12(2)17(18(21)22)20-25(23,24)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,20H,1-2H3,(H,21,22)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084289
PNG
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084287
PNG
((S)-2-(4'-cyano-biphenyl-4-sulfonylamino)-3-methyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12(2)17(18(21)22)20-25(23,24)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,20H,1-2H3,(H,21,22)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084295
PNG
(2-(4'-Cyano-biphenyl-4-sulfonylamino)-3-methyl-but...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C(O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12(2)17(18(21)22)20-25(23,24)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10,12,17,20H,1-2H3,(H,21,22)/t17-/m1/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084298
PNG
(4-Benzylsulfanyl-2-(4'-bromo-biphenyl-4-sulfonylam...)
Show SMILES OC(=O)C(CCSCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrNO4S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)31(28,29)25-22(23(26)27)14-15-30-16-17-4-2-1-3-5-17/h1-13,22,25H,14-16H2,(H,26,27)
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084300
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-5-(3-phenyl-...)
Show SMILES OC(=O)[C@H](CCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrN2O5S/c27-22-13-9-20(10-14-22)21-11-15-23(16-12-21)35(33,34)29-24(26(31)32)7-4-18-28-25(30)17-8-19-5-2-1-3-6-19/h1-3,5-6,9-16,24,29H,4,7-8,17-18H2,(H,28,30)(H,31,32)/t24-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084290
PNG
((S)-2-(4'-bromo-2'-fluoro-biphenyl-4-sulfonylamino...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1F)C(O)=O
Show InChI InChI=1S/C17H17BrFNO4S/c1-10(2)16(17(21)22)20-25(23,24)13-6-3-11(4-7-13)14-8-5-12(18)9-15(14)19/h3-10,16,20H,1-2H3,(H,21,22)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084281
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C18H20BrNO4S/c1-12(2)11-17(18(21)22)20-25(23,24)16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084291
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-phenylmeth...)
Show SMILES OC(=O)C(CCS(=O)(=O)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrNO6S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)33(30,31)25-22(23(26)27)14-15-32(28,29)16-17-4-2-1-3-5-17/h1-13,22,25H,14-16H2,(H,26,27)
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084289
PNG
((S)-2-(4'-methoxy-biphenyl-4-sulfonylamino)-3-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-12(2)17(18(20)21)19-25(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084300
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-5-(3-phenyl-...)
Show SMILES OC(=O)[C@H](CCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrN2O5S/c27-22-13-9-20(10-14-22)21-11-15-23(16-12-21)35(33,34)29-24(26(31)32)7-4-18-28-25(30)17-8-19-5-2-1-3-6-19/h1-3,5-6,9-16,24,29H,4,7-8,17-18H2,(H,28,30)(H,31,32)/t24-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084302
PNG
((S)-2-(4'-formyl-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C=O)cc1)C(O)=O
Show InChI InChI=1S/C18H19NO5S/c1-12(2)17(18(21)22)19-25(23,24)16-9-7-15(8-10-16)14-5-3-13(11-20)4-6-14/h3-12,17,19H,1-2H3,(H,21,22)/t17-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084281
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C18H20BrNO4S/c1-12(2)11-17(18(21)22)20-25(23,24)16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17,20H,11H2,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084294
PNG
((S)-3-methyl-2-(4'-trifluoromethyl-biphenyl-4-sulf...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C18H18F3NO4S/c1-11(2)16(17(23)24)22-27(25,26)15-9-5-13(6-10-15)12-3-7-14(8-4-12)18(19,20)21/h3-11,16,22H,1-2H3,(H,23,24)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084304
PNG
((4'-Bromo-biphenyl-4-sulfonylamino)-acetic acid | ...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H12BrNO4S/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(19,20)16-9-14(17)18/h1-8,16H,9H2,(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084297
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-6-(3-phenyl-...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)CCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrN2O5S/c28-23-14-10-21(11-15-23)22-12-16-24(17-13-22)36(34,35)30-25(27(32)33)8-4-5-19-29-26(31)18-9-20-6-2-1-3-7-20/h1-3,6-7,10-17,25,30H,4-5,8-9,18-19H2,(H,29,31)(H,32,33)/t25-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084285
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-propionic ac...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C15H14BrNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084301
PNG
((S)-2-(4'-fluoro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C17H18FNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084283
PNG
((S)-3-methyl-2-(4'-methyl-biphenyl-4-sulfonylamino...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C)cc1)C(O)=O
Show InChI InChI=1S/C18H21NO4S/c1-12(2)17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-13(3)5-7-14/h4-12,17,19H,1-3H3,(H,20,21)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084285
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-propionic ac...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C15H14BrNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084291
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-4-phenylmeth...)
Show SMILES OC(=O)C(CCS(=O)(=O)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrNO6S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)33(30,31)25-22(23(26)27)14-15-32(28,29)16-17-4-2-1-3-5-17/h1-13,22,25H,14-16H2,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084285
PNG
(2-(4'-Bromo-biphenyl-4-sulfonylamino)-propionic ac...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C15H14BrNO4S/c1-10(15(18)19)17-22(20,21)14-8-4-12(5-9-14)11-2-6-13(16)7-3-11/h2-10,17H,1H3,(H,18,19)/t10-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084302
PNG
((S)-2-(4'-formyl-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(C=O)cc1)C(O)=O
Show InChI InChI=1S/C18H19NO5S/c1-12(2)17(18(21)22)19-25(23,24)16-9-7-15(8-10-16)14-5-3-13(11-20)4-6-14/h3-12,17,19H,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084303
PNG
(6-Benzyloxycarbonylamino-2-(4'-bromo-biphenyl-4-su...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrN2O6S/c27-22-13-9-20(10-14-22)21-11-15-23(16-12-21)36(33,34)29-24(25(30)31)8-4-5-17-28-26(32)35-18-19-6-2-1-3-7-19/h1-3,6-7,9-16,24,29H,4-5,8,17-18H2,(H,28,32)(H,30,31)/t24-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
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