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Compile Data Set for Download or QSAR

Found 35 hits of ph data with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)'   
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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92449
PNG
(Inhibitor, 19)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)19(11-15-23(28)29)26-22(27)14-8-16-6-9-18(10-7-16)21-13-12-20(31-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,19H,8,11,14-15H2,(H2,25,30)(H,26,27)(H,28,29)/t19-/m0/s1
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PubMed
92 -40.2n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92445
PNG
(Inhibitor, 10 | US8691753, 105)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H24N2O4S/c25-24(30)20(11-13-23(28)29)26-22(27)12-8-16-6-9-18(10-7-16)21-14-19(15-31-21)17-4-2-1-3-5-17/h1-7,9-10,14-15,20H,8,11-13H2,(H2,25,30)(H,26,27)(H,28,29)/t20-/m0/s1
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113 -39.7n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92448
PNG
(Inhibitor, 18)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O4/c27-26(32)23(15-17-25(30)31)28-24(29)16-8-18-6-9-20(10-7-18)22-13-11-21(12-14-22)19-4-2-1-3-5-19/h1-7,9-14,23H,8,15-17H2,(H2,27,32)(H,28,29)(H,30,31)/t23-/m0/s1
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406 -36.5n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92446
PNG
(Inhibitor, 16)
Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1cc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O4S/c23-21(27)18(10-11-20(25)26)24-22(28)16-8-6-15(7-9-16)19-12-17(13-29-19)14-4-2-1-3-5-14/h1-9,12-13,18H,10-11H2,(H2,23,27)(H,24,28)(H,25,26)/t18-/m0/s1
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1.26E+3 -33.7n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM92447
PNG
(Inhibitor, 17)
Show SMILES Cc1ccc(s1)-c1ccc(CCC(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-12-2-9-16(26-12)14-6-3-13(4-7-14)5-10-17(22)21-15(19(20)25)8-11-18(23)24/h2-4,6-7,9,15H,5,8,10-11H2,1H3,(H2,20,25)(H,21,22)(H,23,24)/t15-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a6.825



Commissariat á l'Energie Atomique



Assay Description
Enzyme assay using human matrix metalloproteases or ADAMTS.


J Biol Chem 287: 26647-56 (2012)


Article DOI: 10.1074/jbc.M112.380782
BindingDB Entry DOI: 10.7270/Q2H993SB
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM13139
PNG
((2S)-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
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-/m0/s1
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n/an/an/an/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24025
PNG
((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
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n/an/a 3.00E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24026
PNG
((2R)-3-methyl-2-[(3-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
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n/an/a>1.00E+5n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24027
PNG
((2R)-2-[(3-amino-4-phenylbenzene)sulfonamido]-3-me...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(c(N)c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H20N2O4S/c1-11(2)16(17(20)21)19-24(22,23)13-8-9-14(15(18)10-13)12-6-4-3-5-7-12/h3-11,16,19H,18H2,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 3.00E+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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24028
PNG
((2R)-3-methyl-2-{[4-(2-nitrophenyl)benzene]sulfona...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C17H18N2O6S/c1-11(2)16(17(20)21)18-26(24,25)13-9-7-12(8-10-13)14-5-3-4-6-15(14)19(22)23/h3-11,16,18H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 5.00E+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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24029
PNG
((2R)-2-{[4-(2-hydroxyphenyl)benzene]sulfonamido}-3...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)13-9-7-12(8-10-13)14-5-3-4-6-15(14)19/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 2.00E+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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24030
PNG
((2R)-2-{[4-(3-hydroxyphenyl)benzene]sulfonamido}-3...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-8-6-12(7-9-15)13-4-3-5-14(19)10-13/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 9.00E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24031
PNG
((2R)-2-{[4-(4-hydroxyphenyl)benzene]sulfonamido}-3...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H19NO5S/c1-11(2)16(17(20)21)18-24(22,23)15-9-5-13(6-10-15)12-3-7-14(19)8-4-12/h3-11,16,18-19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 4.60E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24032
PNG
((2S)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
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n/an/a>1.00E+5n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24033
PNG
(4-methyl-3-[(4-phenylbenzene)sulfonamido]pentanoic...)
Show SMILES CC(C)C(CC(O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H21NO4S/c1-13(2)17(12-18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)
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n/an/a 1.00E+5n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24034
PNG
((2R)-2-[(4-phenylbenzene)sulfonamido]propanoic aci...)
Show SMILES C[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H15NO4S/c1-11(15(17)18)16-21(19,20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,17,18)/t11-/m1/s1
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n/an/a 5.50E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24035
PNG
((2R)-2-[(4-phenylbenzene)sulfonamido]pentanedioic ...)
Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)/t15-/m1/s1
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n/an/a 1.10E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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n/an/a 4.30E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24037
PNG
((2R)-3-(1H-indol-2-yl)-2-[(4-phenylbenzene)sulfona...)
Show SMILES OC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O4S/c26-23(27)22(15-19-14-18-8-4-5-9-21(18)24-19)25-30(28,29)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-14,22,24-25H,15H2,(H,26,27)/t22-/m1/s1
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n/an/a 2.80E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24038
PNG
((2R)-3-methyl-2-[methyl(4-phenylbenzene)sulfonamid...)
Show SMILES CC(C)[C@@H](N(C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H21NO4S/c1-13(2)17(18(20)21)19(3)24(22,23)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,17H,1-3H3,(H,20,21)/t17-/m1/s1
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n/an/a 1.60E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24039
PNG
((2R)-3-methyl-2-[(4-phenylbenzene)(pyridin-3-ylmet...)
Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-17(2)22(23(26)27)25(16-18-7-6-14-24-15-18)30(28,29)21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-15,17,22H,16H2,1-2H3,(H,26,27)/t22-/m1/s1
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n/an/a 1.20E+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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24040
PNG
((2R)-2-({4-[4-(1-benzofuran-2-ylcarbonyloxy)phenyl...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C26H23NO7S/c1-16(2)24(25(28)29)27-35(31,32)21-13-9-18(10-14-21)17-7-11-20(12-8-17)33-26(30)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,27H,1-2H3,(H,28,29)/t24-/m1/s1
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n/an/a 350n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24041
PNG
((2R)-2-({4-[4-(furan-2-ylcarbonyloxy)phenyl]benzen...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2ccco2)cc1)C(O)=O
Show InChI InChI=1S/C22H21NO7S/c1-14(2)20(21(24)25)23-31(27,28)18-11-7-16(8-12-18)15-5-9-17(10-6-15)30-22(26)19-4-3-13-29-19/h3-14,20,23H,1-2H3,(H,24,25)/t20-/m1/s1
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n/an/a 1.16E+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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24042
PNG
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2oc3ccccc3c2C)cc1)C(O)=O
Show InChI InChI=1S/C27H25NO7S/c1-16(2)24(26(29)30)28-36(32,33)21-14-10-19(11-15-21)18-8-12-20(13-9-18)34-27(31)25-17(3)22-6-4-5-7-23(22)35-25/h4-16,24,28H,1-3H3,(H,29,30)/t24-/m1/s1
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n/an/a 86n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24043
PNG
((2R)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m1/s1
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n/an/a 7.50E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24044
PNG
((2R)-2-({4-[4-(1-benzofuran-2-ylmethoxy)phenyl]ben...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C26H25NO6S/c1-17(2)25(26(28)29)27-34(30,31)23-13-9-19(10-14-23)18-7-11-21(12-8-18)32-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27H,16H2,1-2H3,(H,28,29)/t25-/m1/s1
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n/an/a 1.40E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24045
PNG
((2R)-2-[(4-{4-[2-(1-benzofuran-2-yl)-2-oxoethyl]ph...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CC(=O)c2cc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C27H25NO6S/c1-17(2)26(27(30)31)28-35(32,33)22-13-11-20(12-14-22)19-9-7-18(8-10-19)15-23(29)25-16-21-5-3-4-6-24(21)34-25/h3-14,16-17,26,28H,15H2,1-2H3,(H,30,31)/t26-/m1/s1
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n/an/a 3.80E+3n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24046
PNG
((2R)-2-[(4-{4-[(E)-2-(1-benzofuran-2-yl)ethenyl]ph...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\c2cc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C27H25NO5S/c1-18(2)26(27(29)30)28-34(31,32)24-15-12-21(13-16-24)20-10-7-19(8-11-20)9-14-23-17-22-5-3-4-6-25(22)33-23/h3-18,26,28H,1-2H3,(H,29,30)/b14-9+/t26-/m1/s1
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n/an/a 400n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24047
PNG
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O
Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1
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n/an/a 700n/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(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
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/an/an/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 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-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
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 4 (ADAMTS-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
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-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
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM23498
PNG
((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
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n/an/a 100n/an/an/an/a7.537



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...


J Pharmacol Exp Ther 309: 348-55 (2004)


Article DOI: 10.1124/jpet.103.059675
BindingDB Entry DOI: 10.7270/Q2K935VD
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-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
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