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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3119   
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
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28339
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(7H-purin...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2ncncc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24ClN5O4S/c30-23-10-6-20(7-11-23)21-8-12-24(13-9-21)40(38,39)35(15-14-34-19-33-27-26(34)17-31-18-32-27)29(28(36)37)16-25(29)22-4-2-1-3-5-22/h1-13,17-19,25H,14-16H2,(H,36,37)/t25-,29+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28337
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(meth...)
Show SMILES COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-32(19-31-26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28327
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(3-methox...)
Show SMILES COc1cccn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C30H27ClN2O6S/c1-39-27-8-5-17-32(28(27)34)18-19-33(30(29(35)36)20-26(30)23-6-3-2-4-7-23)40(37,38)25-15-11-22(12-16-25)21-9-13-24(31)14-10-21/h2-17,26H,18-20H2,1H3,(H,35,36)/t26-,30+/m0/s1
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n/an/a 78n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28340
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(9H-purin...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2cncnc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24ClN5O4S/c30-23-10-6-20(7-11-23)21-8-12-24(13-9-21)40(38,39)35(15-14-34-19-33-26-17-31-18-32-27(26)34)29(28(36)37)16-25(29)22-4-2-1-3-5-22/h1-13,17-19,25H,14-16H2,(H,36,37)/t25-,29+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28332
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,4...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cncn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(15-14-30-18-28-17-29-30)26(25(32)33)16-24(26)21-4-2-1-3-5-21/h1-13,17-18,24H,14-16H2,(H,32,33)/t24-,26+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28326
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxo-1,...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClN2O6S/c29-23-11-7-20(8-12-23)21-9-13-24(14-10-21)38(35,36)31(17-16-30-15-4-18-37-27(30)34)28(26(32)33)19-25(28)22-5-2-1-3-6-22/h1-3,5-14,25H,4,15-19H2,(H,32,33)/t25-,28+/m0/s1
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n/an/a 180n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28333
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(4H-1,2,4...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(15-14-30-17-28-29-18-30)26(25(32)33)16-24(26)21-4-2-1-3-5-21/h1-13,17-18,24H,14-16H2,(H,32,33)/t24-,26+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28314
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopyr...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClN2O5S/c29-23-12-8-20(9-13-23)21-10-14-24(15-11-21)37(35,36)31(18-17-30-16-4-7-26(30)32)28(27(33)34)19-25(28)22-5-2-1-3-6-22/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,33,34)/t25-,28+/m0/s1
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n/an/a 200n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28325
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopip...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O5S/c30-24-13-9-21(10-14-24)22-11-15-25(16-12-22)38(36,37)32(19-18-31-17-5-4-8-27(31)33)29(28(34)35)20-26(29)23-6-2-1-3-7-23/h1-3,6-7,9-16,26H,4-5,8,17-20H2,(H,34,35)/t26-,29+/m0/s1
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n/an/a 210n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28324
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxo-1,...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClN2O6S/c28-22-10-6-19(7-11-22)20-8-12-23(13-9-20)37(34,35)30(15-14-29-16-17-36-26(29)33)27(25(31)32)18-24(27)21-4-2-1-3-5-21/h1-13,24H,14-18H2,(H,31,32)/t24-,27+/m0/s1
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n/an/a 220n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28338
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[5-(meth...)
Show SMILES COC(=O)c1cncn1CCN([C@@]1(C[C@H]1c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-31-19-32(26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28334
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2H-1,2,3...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1nccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)30(16-17-31-28-14-15-29-31)26(25(32)33)18-24(26)21-4-2-1-3-5-21/h1-15,24H,16-18H2,(H,32,33)/t24-,26+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28336
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,3...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O4S/c26-21-10-6-18(7-11-21)19-8-12-22(13-9-19)36(34,35)31(15-14-30-17-27-28-29-30)25(24(32)33)16-23(25)20-4-2-1-3-5-20/h1-13,17,23H,14-16H2,(H,32,33)/t23-,25+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28335
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-1,2,3...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN4O4S/c27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)36(34,35)31(17-16-30-15-14-28-29-30)26(25(32)33)18-24(26)21-4-2-1-3-5-21/h1-15,24H,16-18H2,(H,32,33)/t24-,26+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28329
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25ClN2O4S/c30-25-12-8-22(9-13-25)23-10-14-26(15-11-23)37(35,36)32(18-16-21-5-4-17-31-20-21)29(28(33)34)19-27(29)24-6-2-1-3-7-24/h1-15,17,20,27H,16,18-19H2,(H,33,34)/t27-,29+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28323
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2,5-diox...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6S/c29-22-10-6-19(7-11-22)20-8-12-23(13-9-20)38(36,37)31(17-16-30-25(32)14-15-26(30)33)28(27(34)35)18-24(28)21-4-2-1-3-5-21/h1-13,24H,14-18H2,(H,34,35)/t24-,28+/m0/s1
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n/an/a 310n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28331
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(1H-imida...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClN3O4S/c28-23-10-6-20(7-11-23)21-8-12-24(13-9-21)36(34,35)31(17-16-30-15-14-29-19-30)27(26(32)33)18-25(27)22-4-2-1-3-5-22/h1-15,19,25H,16-18H2,(H,32,33)/t25-,27+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28328
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccncc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25ClN2O4S/c30-25-10-6-22(7-11-25)23-8-12-26(13-9-23)37(35,36)32(19-16-21-14-17-31-18-15-21)29(28(33)34)20-27(29)24-4-2-1-3-5-24/h1-15,17-18,27H,16,19-20H2,(H,33,34)/t27-,29+/m0/s1
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n/an/a 750n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28330
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(pyridin-...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25ClN2O4S/c30-24-13-9-21(10-14-24)22-11-15-26(16-12-22)37(35,36)32(19-17-25-8-4-5-18-31-25)29(28(33)34)20-27(29)23-6-2-1-3-7-23/h1-16,18,27H,17,19-20H2,(H,33,34)/t27-,29+/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28316
PNG
((1R,2S)-1-({[4-(4-chlorophenyl)-1,2,3,6-tetrahydro...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClN3O5S/c28-23-10-8-20(9-11-23)21-12-15-30(16-13-21)37(35,36)31(18-17-29-14-4-7-25(29)32)27(26(33)34)19-24(27)22-5-2-1-3-6-22/h1-3,5-6,8-12,24H,4,7,13-19H2,(H,33,34)/t24-,27+/m0/s1
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n/an/a 880n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28317
PNG
((1R,2S)-1-{[6-(4-chlorophenyl)pyridine-3-][2-(2-ox...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O5S/c28-21-10-8-20(9-11-21)24-13-12-22(18-29-24)37(35,36)31(16-15-30-14-4-7-25(30)32)27(26(33)34)17-23(27)19-5-2-1-3-6-19/h1-3,5-6,8-13,18,23H,4,7,14-17H2,(H,33,34)/t23-,27+/m0/s1
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n/an/a 1.10E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28313
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene][2-(2-oxopyrrol...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O5S/c28-23-12-8-21(9-13-23)22-10-14-24(15-11-22)36(34,35)30(18-17-29-16-4-7-26(29)31)25(27(32)33)19-20-5-2-1-3-6-20/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,32,33)/t25-/m1/s1
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n/an/a 1.60E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28306
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene]sulfonamido}-3-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)/t20-/m1/s1
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n/an/a 3.20E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28319
PNG
((1R,2S)-1-{[4-(4-acetamidophenyl)benzene][2-(2-oxo...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H31N3O6S/c1-21(34)31-25-13-9-22(10-14-25)23-11-15-26(16-12-23)40(38,39)33(19-18-32-17-5-8-28(32)35)30(29(36)37)20-27(30)24-6-3-2-4-7-24/h2-4,6-7,9-16,27H,5,8,17-20H2,1H3,(H,31,34)(H,36,37)/t27-,30+/m0/s1
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n/an/a 4.50E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28318
PNG
((1R,2S)-1-({4-[4-(dimethylamino)phenyl]benzene}[2-...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H33N3O5S/c1-31(2)25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)33(20-19-32-18-6-9-28(32)34)30(29(35)36)21-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-17,27H,6,9,18-21H2,1-2H3,(H,35,36)/t27-,30+/m0/s1
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n/an/a 6.60E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28312
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene](2-phenylethyl)...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26ClNO4S/c30-26-15-11-24(12-16-26)25-13-17-27(18-14-25)36(34,35)31(20-19-22-7-3-1-4-8-22)28(29(32)33)21-23-9-5-2-6-10-23/h1-18,28H,19-21H2,(H,32,33)/t28-/m1/s1
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n/an/a 7.30E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28307
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene](methyl)sulfona...)
Show SMILES CN([C@H](Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClNO4S/c1-24(21(22(25)26)15-16-5-3-2-4-6-16)29(27,28)20-13-9-18(10-14-20)17-7-11-19(23)12-8-17/h2-14,21H,15H2,1H3,(H,25,26)/t21-/m1/s1
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n/an/a 8.00E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28315
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene][2-(2-oxopyrrol...)
Show SMILES C[C@](Cc1ccccc1)(N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H29ClN2O5S/c1-28(27(33)34,20-21-6-3-2-4-7-21)31(19-18-30-17-5-8-26(30)32)37(35,36)25-15-11-23(12-16-25)22-9-13-24(29)14-10-22/h2-4,6-7,9-16H,5,8,17-20H2,1H3,(H,33,34)/t28-/m1/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28308
PNG
((2S)-2-{[4-(4-chlorophenyl)benzene](methyl)sulfona...)
Show SMILES CN([C@@H](Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20ClNO4S/c1-24(21(22(25)26)15-16-5-3-2-4-6-16)29(27,28)20-13-9-18(10-14-20)17-7-11-19(23)12-8-17/h2-14,21H,15H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28311
PNG
((2R)-2-{benzyl[4-(4-chlorophenyl)benzene]sulfonami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24ClNO4S/c29-25-15-11-23(12-16-25)24-13-17-26(18-14-24)35(33,34)30(20-22-9-5-2-6-10-22)27(28(31)32)19-21-7-3-1-4-8-21/h1-18,27H,19-20H2,(H,31,32)/t27-/m1/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28309
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene](cyclopropylmet...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CC1CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClNO4S/c26-22-12-8-20(9-13-22)21-10-14-23(15-11-21)32(30,31)27(17-19-6-7-19)24(25(28)29)16-18-4-2-1-3-5-18/h1-5,8-15,19,24H,6-7,16-17H2,(H,28,29)/t24-/m1/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28310
PNG
((2R)-2-{[4-(4-chlorophenyl)benzene](cyclohexylmeth...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30ClNO4S/c29-25-15-11-23(12-16-25)24-13-17-26(18-14-24)35(33,34)30(20-22-9-5-2-6-10-22)27(28(31)32)19-21-7-3-1-4-8-21/h1,3-4,7-8,11-18,22,27H,2,5-6,9-10,19-20H2,(H,31,32)/t27-/m1/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28322
PNG
((1R,2S)-1-{[4-(3-methoxyprop-1-yn-1-yl)benzene][2-...)
Show SMILES COCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H28N2O6S/c1-34-18-6-7-20-11-13-22(14-12-20)35(32,33)28(17-16-27-15-5-10-24(27)29)26(25(30)31)19-23(26)21-8-3-2-4-9-21/h2-4,8-9,11-14,23H,5,10,15-19H2,1H3,(H,30,31)/t23-,26+/m0/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28321
PNG
((1R,2S)-1-{[4-(3-hydroxyprop-1-yn-1-yl)benzene][2-...)
Show SMILES OCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C25H26N2O6S/c28-17-5-6-19-10-12-21(13-11-19)34(32,33)27(16-15-26-14-4-9-23(26)29)25(24(30)31)18-22(25)20-7-2-1-3-8-20/h1-3,7-8,10-13,22,28H,4,9,14-18H2,(H,30,31)/t22-,25+/m0/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28320
PNG
((1R,2S)-1-{[2-(2-oxopyrrolidin-1-yl)ethyl][4-(pyri...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C27H27N3O5S/c31-25-7-4-16-29(25)17-18-30(27(26(32)33)19-24(27)22-5-2-1-3-6-22)36(34,35)23-10-8-20(9-11-23)21-12-14-28-15-13-21/h1-3,5-6,8-15,24H,4,7,16-19H2,(H,32,33)/t24-,27+/m0/s1
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n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair