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PubMed code 17804234

Compile data set for download or QSAR
Found 42 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
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24019
PNG
(1-benzyl-5-methyl-5'-(4-methylphenyl)-1,2-dihydro-...)
Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:8|
Show InChI InChI=1S/C24H21N3OS/c1-16-8-11-19(12-9-16)22-25-26-24(29-22)20-14-17(2)10-13-21(20)27(23(24)28)15-18-6-4-3-5-7-18/h3-14,26H,15H2,1-2H3
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n/an/a 610n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24008
PNG
(1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3
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n/an/a 640n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24006
PNG
(5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...)
Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14|
Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)
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n/an/a 780n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24007
PNG
(1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9|
Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3
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n/an/a 870n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24009
PNG
(5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3
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n/an/a 900n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24022
PNG
(1-benzyl-5'-(4-methoxyphenyl)-5-methyl-6-propyl-1,...)
Show SMILES CCCc1cc2N(Cc3ccccc3)C(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2cc1C |c:19|
Show InChI InChI=1S/C27H27N3O2S/c1-4-8-21-16-24-23(15-18(21)2)27(26(31)30(24)17-19-9-6-5-7-10-19)29-28-25(33-27)20-11-13-22(32-3)14-12-20/h5-7,9-16,29H,4,8,17H2,1-3H3
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n/an/a 950n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24018
PNG
(5-methyl-1-(2-methylphenyl)-5'-(4-methylphenyl)-1,...)
Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:8|
Show InChI InChI=1S/C24H21N3OS/c1-15-8-11-18(12-9-15)22-25-26-24(29-22)19-14-16(2)10-13-21(19)27(23(24)28)20-7-5-4-6-17(20)3/h4-14,26H,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24013
PNG
(6-chloro-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(Cl)ccc21 |t:9|
Show InChI InChI=1S/C16H12ClN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-7-4-10(17)8-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24012
PNG
(5'-(4-methoxyphenyl)-6-methyl-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(C)ccc21 |t:9|
Show InChI InChI=1S/C17H15N3O2S/c1-10-3-8-13-14(9-10)18-16(21)17(13)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24004
PNG
(5-ethyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro...)
Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2c1 |c:11|
Show InChI InChI=1S/C18H17N3O2S/c1-3-11-4-9-15-14(10-11)18(17(22)19-15)21-20-16(24-18)12-5-7-13(23-2)8-6-12/h4-10,21H,3H2,1-2H3,(H,19,22)
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n/an/a 1.40E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24001
PNG
(5'-(4-methylphenyl)-6-propyl-1,2-dihydro-3'H-spiro...)
Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(C)cc2)c1 |c:14|
Show InChI InChI=1S/C19H19N3OS/c1-3-4-13-7-10-15-16(11-13)20-18(23)19(15)22-21-17(24-19)14-8-5-12(2)6-9-14/h5-11,22H,3-4H2,1-2H3,(H,20,23)
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n/an/a 1.40E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24021
PNG
(1-(4-chlorophenyl)-5'-(4-methoxyphenyl)-5-methyl-1...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccc(Cl)cc1 |t:9|
Show InChI InChI=1S/C23H18ClN3O2S/c1-14-3-12-20-19(13-14)23(22(28)27(20)17-8-6-16(24)7-9-17)26-25-21(30-23)15-4-10-18(29-2)11-5-15/h3-13,26H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM24006
PNG
(5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...)
Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14|
Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)
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n/an/a 1.70E+3n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24000
PNG
(5-ethyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro[...)
Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(C)cc3)c2c1 |c:11|
Show InChI InChI=1S/C18H17N3OS/c1-3-12-6-9-15-14(10-12)18(17(22)19-15)21-20-16(23-18)13-7-4-11(2)5-8-13/h4-10,21H,3H2,1-2H3,(H,19,22)
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n/an/a 1.90E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24005
PNG
(5-chloro-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Cl)cc21 |t:9|
Show InChI InChI=1S/C16H12ClN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-8-10(17)4-7-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)
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n/an/a 2.00E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24010
PNG
(5-bromo-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Br)cc21 |t:9|
Show InChI InChI=1S/C16H12BrN3O2S/c1-22-11-5-2-9(3-6-11)14-19-20-16(23-14)12-8-10(17)4-7-13(12)18-15(16)21/h2-8,20H,1H3,(H,18,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24003
PNG
(5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:9|
Show InChI InChI=1S/C17H15N3O2S/c1-10-3-8-14-13(9-10)17(16(21)18-14)20-19-15(23-17)11-4-6-12(22-2)7-5-11/h3-9,20H,1-2H3,(H,18,21)
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n/an/a 2.50E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24016
PNG
(1,5'-diphenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1...)
Show SMILES O=C1N(c2ccccc2C11NN=C(S1)c1ccccc1)c1ccccc1 |c:13|
Show InChI InChI=1S/C21H15N3OS/c25-20-21(23-22-19(26-21)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h1-14,23H
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n/an/a 2.60E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23999
PNG
(5-methyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro...)
Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:8|
Show InChI InChI=1S/C17H15N3OS/c1-10-3-6-12(7-4-10)15-19-20-17(22-15)13-9-11(2)5-8-14(13)18-16(17)21/h3-9,20H,1-2H3,(H,18,21)
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n/an/a 3.00E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24015
PNG
(5'-phenyl-1-(propan-2-yl)-1,2-dihydro-3'H-spiro[in...)
Show SMILES CC(C)N1C(=O)C2(NN=C(S2)c2ccccc2)c2ccccc12 |c:8|
Show InChI InChI=1S/C18H17N3OS/c1-12(2)21-15-11-7-6-10-14(15)18(17(21)22)20-19-16(23-18)13-8-4-3-5-9-13/h3-12,20H,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23998
PNG
(5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro[indole-3...)
Show SMILES Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccccc21 |t:8|
Show InChI InChI=1S/C16H13N3OS/c1-10-6-8-11(9-7-10)14-18-19-16(21-14)12-4-2-3-5-13(12)17-15(16)20/h2-9,19H,1H3,(H,17,20)
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n/an/a 3.70E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24011
PNG
(5'-(4-methoxyphenyl)-5-nitro-1,2-dihydro-3'H-spiro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(cc21)[N+]([O-])=O |t:9|
Show InChI InChI=1S/C16H12N4O4S/c1-24-11-5-2-9(3-6-11)14-18-19-16(25-14)12-8-10(20(22)23)4-7-13(12)17-15(16)21/h2-8,19H,1H3,(H,17,21)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24017
PNG
(1-methyl-5'-(4-methylphenyl)-1,2-dihydro-3'H-spiro...)
Show SMILES CN1C(=O)C2(NN=C(S2)c2ccc(C)cc2)c2ccccc12 |c:6|
Show InChI InChI=1S/C17H15N3OS/c1-11-7-9-12(10-8-11)15-18-19-17(22-15)13-5-3-4-6-14(13)20(2)16(17)21/h3-10,19H,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM24007
PNG
(1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9|
Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3
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n/an/a 5.60E+3n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23997
PNG
(5'-phenyl-5-(trifluoromethoxy)-1,2-dihydro-3'H-spi...)
Show SMILES FC(F)(F)Oc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:14|
Show InChI InChI=1S/C16H10F3N3O2S/c17-16(18,19)24-10-6-7-12-11(8-10)15(14(23)20-12)22-21-13(25-15)9-4-2-1-3-5-9/h1-8,22H,(H,20,23)
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n/an/a 7.20E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24020
PNG
(5'-(4-methoxyphenyl)-1-methyl-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(C)c1ccccc21 |t:9|
Show InChI InChI=1S/C17H15N3O2S/c1-20-14-6-4-3-5-13(14)17(16(20)21)19-18-15(23-17)11-7-9-12(22-2)10-8-11/h3-10,19H,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23996
PNG
(5-ethyl-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2...)
Show SMILES CCc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:11|
Show InChI InChI=1S/C17H15N3OS/c1-2-11-8-9-14-13(10-11)17(16(21)18-14)20-19-15(22-17)12-6-4-3-5-7-12/h3-10,20H,2H2,1H3,(H,18,21)
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n/an/a 9.60E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM24009
PNG
(5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3
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n/an/a 1.05E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23995
PNG
(5-methyl-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,...)
Show SMILES Cc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
Show InChI InChI=1S/C16H13N3OS/c1-10-7-8-13-12(9-10)16(15(20)17-13)19-18-14(21-16)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,17,20)
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n/an/a 1.11E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24002
PNG
(5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spiro[indole-...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccccc21 |t:9|
Show InChI InChI=1S/C16H13N3O2S/c1-21-11-8-6-10(7-9-11)14-18-19-16(22-14)12-4-2-3-5-13(12)17-15(16)20/h2-9,19H,1H3,(H,17,20)
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n/an/a 1.34E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23994
PNG
(5-bromo-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2...)
Show SMILES Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
Show InChI InChI=1S/C15H10BrN3OS/c16-10-6-7-12-11(8-10)15(14(20)17-12)19-18-13(21-15)9-4-2-1-3-5-9/h1-8,19H,(H,17,20)
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n/an/a 1.36E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM24008
PNG
(1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3
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n/an/a>2.20E+4n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM24008
PNG
(1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3
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n/an/a>2.20E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM24009
PNG
(5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3
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n/an/a>2.20E+4n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM24006
PNG
(5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...)
Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14|
Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)
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n/an/a>2.20E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))		BDBM24007
PNG
(1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9|
Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3
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n/an/a>2.20E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM24006
PNG
(5'-(4-methoxyphenyl)-6-propyl-1,2-dihydro-3'H-spir...)
Show SMILES CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14|
Show InChI InChI=1S/C19H19N3O2S/c1-3-4-12-5-10-15-16(11-12)20-18(23)19(15)22-21-17(25-19)13-6-8-14(24-2)9-7-13/h5-11,22H,3-4H2,1-2H3,(H,20,23)
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n/an/a>2.20E+4n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM24014
PNG
(1-methyl-5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,...)
Show SMILES CN1C(=O)C2(NN=C(S2)c2ccccc2)c2ccccc12 |c:6|
Show InChI InChI=1S/C16H13N3OS/c1-19-13-10-6-5-9-12(13)16(15(19)20)18-17-14(21-16)11-7-3-2-4-8-11/h2-10,18H,1H3
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n/an/a 2.41E+4n/an/an/an/an/an/a



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]


(Homo sapiens (Human))		BDBM23992
PNG
(5'-phenyl-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4...)
Show SMILES O=C1Nc2ccccc2C11NN=C(S1)c1ccccc1 |c:13|
Show InChI InChI=1S/C15H11N3OS/c19-14-15(11-8-4-5-9-12(11)16-14)18-17-13(20-15)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)
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n/an/a 2.42E+4n/an/an/an/a7.530



Wyeth Research



Assay Description
ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage si...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM24009
PNG
(5'-(4-methoxyphenyl)-5-methyl-1-(2-methylphenyl)-1...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-15-8-13-21-19(14-15)24(23(28)27(21)20-7-5-4-6-16(20)2)26-25-22(30-24)17-9-11-18(29-3)12-10-17/h4-14,26H,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM24007
PNG
(1-benzyl-5'-(4-methoxyphenyl)-1,2-dihydro-3'H-spir...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9|
Show InChI InChI=1S/C23H19N3O2S/c1-28-18-13-11-17(12-14-18)21-24-25-23(29-21)19-9-5-6-10-20(19)26(22(23)27)15-16-7-3-2-4-8-16/h2-14,25H,15H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM24008
PNG
(1-benzyl-5'-(4-methoxyphenyl)-5-methyl-1,2-dihydro...)
Show SMILES COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9|
Show InChI InChI=1S/C24H21N3O2S/c1-16-8-13-21-20(14-16)24(23(28)27(21)15-17-6-4-3-5-7-17)26-25-22(30-24)18-9-11-19(29-2)12-10-18/h3-14,26H,15H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.522



Wyeth Research



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...

Bioorg Med Chem Lett 17: 5630-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.048
BindingDB Entry DOI: 10.7270/Q2H993G9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%