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Compile Data Set for Download or QSAR

Found 589 hits with Last Name = 'leesnitzer' and Initial = 'ma'   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063920
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063920
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-10(8-11(19)18-22)13(20)17-12(14(21)16-6)15(3,4)5/h9-10,12,22H,7-8H2,1-6H3,(H,16,21)(H,17,20)(H,18,19)/t10-,12-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103099
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103097
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103097
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103092
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103096
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103102
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103098
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103093
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103092
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-10(2)8-12(11(3)19(23)9-20)14(21)18-13(15(22)17-7)16(4,5)6/h9-13,23H,8H2,1-7H3,(H,17,22)(H,18,21)/t11-,12+,13+/m0/s1
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21n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103099
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1
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24n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103102
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1
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27n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103098
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1
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27n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103097
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C19H32N4O4S/c1-7-14(23(27)11-24)13(10-12(2)3)16(25)21-15(19(4,5)6)17(26)22-18-20-8-9-28-18/h8-9,11-15,27H,7,10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m1/s1
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28n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103095
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1
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29n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103093
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1
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29n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50048248
PNG
((3S,4R)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(C)=O
Show InChI InChI=1S/C20H27NO5/c1-13(22)16-11-21(20(23)25-3)12-17(16)14-8-9-18(24-2)19(10-14)26-15-6-4-5-7-15/h8-10,15-17H,4-7,11-12H2,1-3H3/t16-,17-/m0/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470745
PNG
(CHEMBL286840)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3
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30n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285059
PNG
(1-(tert-butyl) 3-methyl 4-(3-cyclopentyloxy-4-meth...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H33NO6/c1-23(2,3)30-22(26)24-13-17(18(14-24)21(25)28-5)15-10-11-19(27-4)20(12-15)29-16-8-6-7-9-16/h10-12,16-18H,6-9,13-14H2,1-5H3/t17-,18+/m0/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103100
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(N)=O)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-9(2)7-11(10(3)18(22)8-19)14(21)17-12(13(16)20)15(4,5)6/h8-12,22H,7H2,1-6H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m0/s1
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33n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470752
PNG
(CHEMBL38328)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H27NO4/c1-26-21-12-11-17(15-22(21)27-19-9-5-6-10-19)18-13-14-24(16-18)23(25)28-20-7-3-2-4-8-20/h2-4,7-8,11-12,15,18-19H,5-6,9-10,13-14,16H2,1H3
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34n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103098
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)C
Show InChI InChI=1S/C18H30N4O4S/c1-11(2)9-13(12(3)22(26)10-23)15(24)20-14(18(4,5)6)16(25)21-17-19-7-8-27-17/h7-8,10-14,26H,9H2,1-6H3,(H,20,24)(H,19,21,25)/t12-,13+,14+/m0/s1
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34n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103102
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H28N4O4S/c1-10(2)8-13(12(5)21(25)9-22)15(23)19-14(11(3)4)16(24)20-17-18-6-7-26-17/h6-7,9-14,25H,8H2,1-5H3,(H,19,23)(H,18,20,24)/t12-,13+,14-/m0/s1
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36n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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38n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP3)


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285045
PNG
(1-isopropyl 3-methyl 4-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)C
Show InChI InChI=1S/C22H31NO6/c1-14(2)28-22(25)23-12-17(18(13-23)21(24)27-4)15-9-10-19(26-3)20(11-15)29-16-7-5-6-8-16/h9-11,14,16-18H,5-8,12-13H2,1-4H3/t17-,18+/m0/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103093
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H30N4O4S/c1-6-12(4)15(17(25)21-18-19-7-8-27-18)20-16(24)14(9-11(2)3)13(5)22(26)10-23/h7-8,10-15,26H,6,9H2,1-5H3,(H,20,24)(H,19,21,25)/t12-,13-,14+,15-/m0/s1
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41n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103099
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1
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42n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50103099
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-6-13(5)16(18(26)22-19-20-8-9-28-19)21-17(25)14(10-12(3)4)15(7-2)23(27)11-24/h8-9,11-16,27H,6-7,10H2,1-5H3,(H,21,25)(H,20,22,26)/t13-,14+,15-,16-/m0/s1
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45n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP3)


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470756
PNG
(CHEMBL37453)
Show SMILES CCCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3
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46n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103095
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C)N(O)C=O
Show InChI InChI=1S/C21H34N4O4/c1-7-16(25(29)13-26)15(12-14(2)3)19(27)24-18(21(4,5)6)20(28)23-17-10-8-9-11-22-17/h8-11,13-16,18,29H,7,12H2,1-6H3,(H,24,27)(H,22,23,28)/t15-,16+,18-/m1/s1
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47n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285042
PNG
(CHEMBL302632 | tert-butyl 3-(3-cyclopentyloxy-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1CO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H33NO5/c1-22(2,3)28-21(25)23-12-16(14-24)18(13-23)15-9-10-19(26-4)20(11-15)27-17-7-5-6-8-17/h9-11,16-18,24H,5-8,12-14H2,1-4H3/t16-,18-/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285038
PNG
(1-benzyl 3-methyl 4-(3-cyclopentyloxy-4-methoxyphe...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31NO6/c1-30-23-13-12-19(14-24(23)33-20-10-6-7-11-20)21-15-27(16-22(21)25(28)31-2)26(29)32-17-18-8-4-3-5-9-18/h3-5,8-9,12-14,20-22H,6-7,10-11,15-17H2,1-2H3/t21-,22+/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103096
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[C@H](C)N(O)C=O)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H30N4O4S/c1-11(2)8-14(13(5)22(26)10-23)16(24)20-15(9-12(3)4)17(25)21-18-19-6-7-27-18/h6-7,10-15,26H,8-9H2,1-5H3,(H,20,24)(H,19,21,25)/t13-,14+,15-/m0/s1
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470750
PNG
(CHEMBL286291)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccn1C
Show InChI InChI=1S/C22H28N2O3/c1-23-12-5-8-19(23)22(25)24-13-11-17(15-24)16-9-10-20(26-2)21(14-16)27-18-6-3-4-7-18/h5,8-10,12,14,17-18H,3-4,6-7,11,13,15H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470731
PNG
(CHEMBL146946)
Show SMILES COC(=O)N1CC[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H25NO4/c1-21-16-8-7-13(11-17(16)23-15-5-3-4-6-15)14-9-10-19(12-14)18(20)22-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-/m0/s1
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59n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470736
PNG
(CHEMBL37029)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3
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60n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285050
PNG
(CHEMBL59386 | methyl 3-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)[N+]([O-])=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H24N2O6/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-19(18(21)25-2)11-15(14)20(22)23/h7-9,13-15H,3-6,10-11H2,1-2H3/t14-,15+/m0/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50103094
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1
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64n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470740
PNG
(CHEMBL264851)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)C
Show InChI InChI=1S/C20H29NO4/c1-14(2)24-20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)25-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3
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65n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470754
PNG
(CHEMBL288928)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(15-22(21)27-20-9-5-6-10-20)19-13-14-24(16-19)23(25)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19-20H,5-6,9-10,13-14,16H2,1H3
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68n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470743
PNG
(CHEMBL422578)
Show SMILES CCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3
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71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50470725
PNG
(CHEMBL36318)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccs1
Show InChI InChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3
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71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme


J Med Chem 38: 1505-10 (1995)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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73n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


Article DOI: 10.1016/s0960-894x(01)00377-8
BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
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