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PubMed code 15857146

Compile data set for download or QSAR
Found 30 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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166256
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-(4-isopropyl-pipe...)
Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H25BrN4O4/c1-15(2)27-11-13-28(14-12-27)23(20(29)25-22(31)26-21(23)30)16-3-7-18(8-4-16)32-19-9-5-17(24)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,25,26,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166262
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-iod...)
Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(I)cc2)cc1
Show InChI InChI=1S/C22H23IN4O5/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)24-21(31)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166253
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-piperazin-1-yl-py...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C20H19BrN4O4/c21-14-3-7-16(8-4-14)29-15-5-1-13(2-6-15)20(25-11-9-22-10-12-25)17(26)23-19(28)24-18(20)27/h1-8,22H,9-12H2,(H2,23,24,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166250
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(2-hydroxy-eth...)
Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H23BrN4O5/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)24-21(31)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166253
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-piperazin-1-yl-py...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C20H19BrN4O4/c21-14-3-7-16(8-4-14)29-15-5-1-13(2-6-15)20(25-11-9-22-10-12-25)17(26)23-19(28)24-18(20)27/h1-8,22H,9-12H2,(H2,23,24,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166258
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-met...)
Show SMILES COc1ccc(Oc2ccc(cc2)C2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C23H26N4O6/c1-32-17-6-8-19(9-7-17)33-18-4-2-16(3-5-18)23(20(29)24-22(31)25-21(23)30)27-12-10-26(11-13-27)14-15-28/h2-9,28H,10-15H2,1H3,(H2,24,25,29,30,31)
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n/an/a 6n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166262
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-iod...)
Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(I)cc2)cc1
Show InChI InChI=1S/C22H23IN4O5/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)24-21(31)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166263
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(2-hydroxy-eth...)
Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=S)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H23BrN4O4S/c23-16-3-7-18(8-4-16)31-17-5-1-15(2-6-17)22(19(29)24-21(32)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,32)
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n/an/a 7.21n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166258
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-met...)
Show SMILES COc1ccc(Oc2ccc(cc2)C2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C23H26N4O6/c1-32-17-6-8-19(9-7-17)33-18-4-2-16(3-5-18)23(20(29)24-22(31)25-21(23)30)27-12-10-26(11-13-27)14-15-28/h2-9,28H,10-15H2,1H3,(H2,24,25,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166250
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(2-hydroxy-eth...)
Show SMILES OCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H23BrN4O5/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)24-21(31)25-20(22)30)27-11-9-26(10-12-27)13-14-28/h1-8,28H,9-14H2,(H2,24,25,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166249
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-iodo-phenyl...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)c3ccc(I)cc3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C26H22BrIN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
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n/an/a 10n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166257
PNG
(5-[4-(2-Amino-ethyl)-piperazin-1-yl]-5-[4-(4-bromo...)
Show SMILES NCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H24BrN5O4/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)25-21(31)26-20(22)30)28-13-11-27(10-9-24)12-14-28/h1-8H,9-14,24H2,(H2,25,26,29,30,31)
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n/an/a 10n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166247
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-fluoro-phen...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H22BrFN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
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n/an/a 12n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166257
PNG
(5-[4-(2-Amino-ethyl)-piperazin-1-yl]-5-[4-(4-bromo...)
Show SMILES NCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H24BrN5O4/c23-16-3-7-18(8-4-16)32-17-5-1-15(2-6-17)22(19(29)25-21(31)26-20(22)30)28-13-11-27(10-9-24)12-14-28/h1-8H,9-14,24H2,(H2,25,26,29,30,31)
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n/an/a 14n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166264
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(3-iodo-benzoy...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)C(=O)c3cccc(I)c3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H22BrIN4O5/c28-19-6-10-22(11-7-19)38-21-8-4-18(5-9-21)27(24(35)30-26(37)31-25(27)36)33-14-12-32(13-15-33)23(34)17-2-1-3-20(29)16-17/h1-11,16H,12-15H2,(H2,30,31,35,36,37)
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n/an/a 15n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166252
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-nitro-pheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H22BrN5O6/c27-18-3-11-22(12-4-18)38-21-9-1-17(2-10-21)26(23(33)28-25(35)29-24(26)34)31-15-13-30(14-16-31)19-5-7-20(8-6-19)32(36)37/h1-12H,13-16H2,(H2,28,29,33,34,35)
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n/an/a 16n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166247
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-fluoro-phen...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H22BrFN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166264
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(3-iodo-benzoy...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)C(=O)c3cccc(I)c3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C27H22BrIN4O5/c28-19-6-10-22(11-7-19)38-21-8-4-18(5-9-21)27(24(35)30-26(37)31-25(27)36)33-14-12-32(13-15-33)23(34)17-2-1-3-20(29)16-17/h1-11,16H,12-15H2,(H2,30,31,35,36,37)
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n/an/a 20n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166256
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-(4-isopropyl-pipe...)
Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H25BrN4O4/c1-15(2)27-11-13-28(14-12-27)23(20(29)25-22(31)26-21(23)30)16-3-7-18(8-4-16)32-19-9-5-17(24)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,25,26,29,30,31)
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n/an/a 26n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166255
PNG
(5-[4-(2-Bromo-ethyl)-piperazin-1-yl]-5-[4-(4-bromo...)
Show SMILES BrCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H22Br2N4O4/c23-9-10-27-11-13-28(14-12-27)22(19(29)25-21(31)26-20(22)30)15-1-5-17(6-2-15)32-18-7-3-16(24)4-8-18/h1-8H,9-14H2,(H2,25,26,29,30,31)
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n/an/a 26n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166261
PNG
(3-(4-{5-[4-(4-Bromo-phenoxy)-phenyl]-2,4,6-trioxo-...)
Show SMILES OC(=O)CCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H23BrN4O6/c24-16-3-7-18(8-4-16)34-17-5-1-15(2-6-17)23(20(31)25-22(33)26-21(23)32)28-13-11-27(12-14-28)10-9-19(29)30/h1-8H,9-14H2,(H,29,30)(H2,25,26,31,32,33)
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n/an/a 26n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166255
PNG
(5-[4-(2-Bromo-ethyl)-piperazin-1-yl]-5-[4-(4-bromo...)
Show SMILES BrCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H22Br2N4O4/c23-9-10-27-11-13-28(14-12-27)22(19(29)25-21(31)26-20(22)30)15-1-5-17(6-2-15)32-18-7-3-16(24)4-8-18/h1-8H,9-14H2,(H2,25,26,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166252
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-nitro-pheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C26H22BrN5O6/c27-18-3-11-22(12-4-18)38-21-9-1-17(2-10-21)26(23(33)28-25(35)29-24(26)34)31-15-13-30(14-16-31)19-5-7-20(8-6-19)32(36)37/h1-12H,13-16H2,(H2,28,29,33,34,35)
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n/an/a 57n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166261
PNG
(3-(4-{5-[4-(4-Bromo-phenoxy)-phenyl]-2,4,6-trioxo-...)
Show SMILES OC(=O)CCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H23BrN4O6/c24-16-3-7-18(8-4-16)34-17-5-1-15(2-6-17)23(20(31)25-22(33)26-21(23)32)28-13-11-27(12-14-28)10-9-19(29)30/h1-8H,9-14H2,(H,29,30)(H2,25,26,31,32,33)
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n/an/a 85n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166249
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-iodo-phenyl...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)c3ccc(I)cc3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C26H22BrIN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
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n/an/a 86n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50166248
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-trimethylsi...)
Show SMILES C[Si](C)(C)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C29H31BrN4O4Si/c1-39(2,3)25-14-8-22(9-15-25)33-16-18-34(19-17-33)29(26(35)31-28(37)32-27(29)36)20-4-10-23(11-5-20)38-24-12-6-21(30)7-13-24/h4-15H,16-19H2,1-3H3,(H2,31,32,35,36,37)
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n/an/a 550n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166248
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-trimethylsi...)
Show SMILES C[Si](C)(C)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C29H31BrN4O4Si/c1-39(2,3)25-14-8-22(9-15-25)33-16-18-34(19-17-33)29(26(35)31-28(37)32-27(29)36)20-4-10-23(11-5-20)38-24-12-6-21(30)7-13-24/h4-15H,16-19H2,1-3H3,(H2,31,32,35,36,37)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50370658
PNG
(CHEMBL1169459)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C#CCCCCF)C(O)=O
Show InChI InChI=1S/C17H22FNO4S/c1-13(2)16(17(20)21)19-24(22,23)15-10-8-14(9-11-15)7-5-3-4-6-12-18/h8-11,13,16,19H,3-4,6,12H2,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50166259
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-pyrimidine-2,4,6-tr...)
Show SMILES Oc1[nH]c(=O)[nH]c(=O)c1-c1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C16H11BrN2O4/c17-10-3-7-12(8-4-10)23-11-5-1-9(2-6-11)13-14(20)18-16(22)19-15(13)21/h1-8H,(H3,18,19,20,21,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2

J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%