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PubMed code 17210252

Compile data set for download or QSAR
Found 22 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


(Homo sapiens (Human))
BDBM50202186
PNG
((Z)-5-((5-(4-chlorobenzylthio)-1-methyl-3-(trifluo...)
Show SMILES Cn1nc(c(C=C2SC(S)=NC2=O)c1SCc1ccc(Cl)cc1)C(F)(F)F |w:5.4,c:9|
Show InChI InChI=1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-2-4-9(17)5-3-8)10(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202187
PNG
(5-((5-(4-(4-chlorophenyl)piperazin-1-yl)-1-phenyl-...)
Show SMILES FC(F)(F)c1nn(c(N2CCN(CC2)c2ccc(Cl)cc2)c1C=C1SC(=S)NC1=O)-c1ccccc1 |w:22.24|
Show InChI InChI=1S/C24H19ClF3N5OS2/c25-15-6-8-16(9-7-15)31-10-12-32(13-11-31)22-18(14-19-21(34)29-23(35)36-19)20(24(26,27)28)30-33(22)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,29,34,35)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202196
PNG
(5-((5-(4-tert-butylbenzylthio)-1-methyl-3-(trifluo...)
Show SMILES Cn1nc(c(C=C2SC(=S)NC2=O)c1SCc1ccc(cc1)C(C)(C)C)C(F)(F)F |w:5.4|
Show InChI InChI=1S/C20H20F3N3OS3/c1-19(2,3)12-7-5-11(6-8-12)10-29-17-13(9-14-16(27)24-18(28)30-14)15(20(21,22)23)25-26(17)4/h5-9H,10H2,1-4H3,(H,24,27,28)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202181
PNG
(5-((5-(4-chlorobenzylthio)-1-phenyl-3-(trifluorome...)
Show SMILES FC(F)(F)c1nn(c(SCc2ccc(Cl)cc2)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:18.19,c:24|
Show InChI InChI=1S/C21H13ClF3N3OS3/c22-13-8-6-12(7-9-13)11-31-19-15(10-16-18(29)26-20(30)32-16)17(21(23,24)25)27-28(19)14-4-2-1-3-5-14/h1-10H,11H2,(H,26,29,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202190
PNG
(5-((1,3-diphenyl-5-(thiophen-2-ylmethylthio)-1H-py...)
Show SMILES SC1=NC(=O)C(S1)=Cc1c(SCc2cccs2)n(nc1-c1ccccc1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C24H17N3OS4/c28-22-20(32-24(29)25-22)14-19-21(16-8-3-1-4-9-16)26-27(17-10-5-2-6-11-17)23(19)31-15-18-12-7-13-30-18/h1-14H,15H2,(H,25,28,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202194
PNG
(5-((5-(4-chlorobenzylthio)-1-cyclohexyl-3-(trifluo...)
Show SMILES FC(F)(F)c1nn(C2CCCCC2)c(SCc2ccc(Cl)cc2)c1C=C1SC(S)=NC1=O |w:24.26,c:31|
Show InChI InChI=1S/C21H19ClF3N3OS3/c22-13-8-6-12(7-9-13)11-31-19-15(10-16-18(29)26-20(30)32-16)17(21(23,24)25)27-28(19)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H,26,29,30)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202200
PNG
(5-((5-(4-chlorophenethoxy)-1-phenyl-3-(trifluorome...)
Show SMILES FC(F)(F)c1nn(c(OCCc2ccc(Cl)cc2)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:19.20,c:25|
Show InChI InChI=1S/C22H15ClF3N3O2S2/c23-14-8-6-13(7-9-14)10-11-31-20-16(12-17-19(30)27-21(32)33-17)18(22(24,25)26)28-29(20)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,27,30,32)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202189
PNG
(5-((1-cyclohexyl-5-(furan-2-ylmethylthio)-3-phenyl...)
Show SMILES SC1=NC(=O)C(S1)=Cc1c(SCc2ccco2)n(nc1-c1ccccc1)C1CCCCC1 |w:7.8,t:1|
Show InChI InChI=1S/C24H23N3O2S3/c28-22-20(32-24(30)25-22)14-19-21(16-8-3-1-4-9-16)26-27(17-10-5-2-6-11-17)23(19)31-15-18-12-7-13-29-18/h1,3-4,7-9,12-14,17H,2,5-6,10-11,15H2,(H,25,28,30)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202192
PNG
(5-((5-(4-methylpiperazin-1-yl)-1,3-diphenyl-1H-pyr...)
Show SMILES CN1CCN(CC1)c1c(C=C2SC(S)=NC2=O)c(nn1-c1ccccc1)-c1ccccc1 |w:9.9,c:14|
Show InChI InChI=1S/C24H23N5OS2/c1-27-12-14-28(15-13-27)23-19(16-20-22(30)25-24(31)32-20)21(17-8-4-2-5-9-17)26-29(23)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,25,30,31)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202184
PNG
(5-((5-(4-chlorobenzylthio)-1-phenyl-3-(trifluorome...)
Show SMILES Oc1nc(S)sc1Cc1c(SCc2ccc(Cl)cc2)n(nc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C21H15ClF3N3OS3/c22-13-8-6-12(7-9-13)11-31-19-15(10-16-18(29)26-20(30)32-16)17(21(23,24)25)27-28(19)14-4-2-1-3-5-14/h1-9,29H,10-11H2,(H,26,30)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202199
PNG
(5-((5-(furan-2-ylmethylthio)-1,3-diphenyl-1H-pyraz...)
Show SMILES SC1=NC(=O)C(S1)=Cc1c(SCc2ccco2)n(nc1-c1ccccc1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C24H17N3O2S3/c28-22-20(32-24(30)25-22)14-19-21(16-8-3-1-4-9-16)26-27(17-10-5-2-6-11-17)23(19)31-15-18-12-7-13-29-18/h1-14H,15H2,(H,25,28,30)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202185
PNG
(5-((5-(4-fluorophenethoxy)-1-phenyl-3-(trifluorome...)
Show SMILES Fc1ccc(CCOc2c(C=C3SC(S)=NC3=O)c(nn2-c2ccccc2)C(F)(F)F)cc1 |w:10.9,c:14|
Show InChI InChI=1S/C22H15F4N3O2S2/c23-14-8-6-13(7-9-14)10-11-31-20-16(12-17-19(30)27-21(32)33-17)18(22(24,25)26)28-29(20)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,27,30,32)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50202196
PNG
(5-((5-(4-tert-butylbenzylthio)-1-methyl-3-(trifluo...)
Show SMILES Cn1nc(c(C=C2SC(=S)NC2=O)c1SCc1ccc(cc1)C(C)(C)C)C(F)(F)F |w:5.4|
Show InChI InChI=1S/C20H20F3N3OS3/c1-19(2,3)12-7-5-11(6-8-12)10-29-17-13(9-14-16(27)24-18(28)30-14)15(20(21,22)23)25-26(17)4/h5-9H,10H2,1-4H3,(H,24,27,28)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS4 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202188
PNG
(5-((1-cyclohexyl-3-phenyl-5-(4-(pyrimidin-2-yl)pip...)
Show SMILES SC1=NC(=O)C(S1)=Cc1c(nn(C2CCCCC2)c1N1CCN(CC1)c1ncccn1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C27H29N7OS2/c35-24-22(37-27(36)30-24)18-21-23(19-8-3-1-4-9-19)31-34(20-10-5-2-6-11-20)25(21)32-14-16-33(17-15-32)26-28-12-7-13-29-26/h1,3-4,7-9,12-13,18,20H,2,5-6,10-11,14-17H2,(H,30,35,36)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202193
PNG
(5-((1-methyl-3-phenyl-5-(p-tolylthio)-1H-pyrazol-4...)
Show SMILES Cc1ccc(Sc2c(C=C3SC(=S)NC3=O)c(nn2C)-c2ccccc2)cc1 |w:8.7|
Show InChI InChI=1S/C21H17N3OS3/c1-13-8-10-15(11-9-13)27-20-16(12-17-19(25)22-21(26)28-17)18(23-24(20)2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,22,25,26)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202191
PNG
(5-((5-(4-(4-chlorophenyl)piperazin-1-yl)-1-methyl-...)
Show SMILES Cn1nc(c(C=C2SC(=S)NC2=O)c1N1CCN(CC1)c1ccc(Cl)cc1)C(F)(F)F |w:5.4|
Show InChI InChI=1S/C19H17ClF3N5OS2/c1-26-17(28-8-6-27(7-9-28)12-4-2-11(20)3-5-12)13(15(25-26)19(21,22)23)10-14-16(29)24-18(30)31-14/h2-5,10H,6-9H2,1H3,(H,24,29,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202183
PNG
(5-((1-phenyl-5-(2-(thiophen-2-yl)ethoxy)-3-(triflu...)
Show SMILES FC(F)(F)c1nn(c(OCCc2cccs2)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:17.18,c:23|
Show InChI InChI=1S/C20H14F3N3O2S3/c21-20(22,23)16-14(11-15-17(27)24-19(29)31-15)18(28-9-8-13-7-4-10-30-13)26(25-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,24,27,29)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202198
PNG
(5-((1-cyclohexyl-5-(4-(pyrimidin-2-yl)piperazin-1-...)
Show SMILES FC(F)(F)c1nn(C2CCCCC2)c(N2CCN(CC2)c2ncccn2)c1C=C1SC(S)=NC1=O |w:27.30,c:35|
Show InChI InChI=1S/C22H24F3N7OS2/c23-22(24,25)17-15(13-16-18(33)28-21(34)35-16)19(32(29-17)14-5-2-1-3-6-14)30-9-11-31(12-10-30)20-26-7-4-8-27-20/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,28,33,34)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202197
PNG
(5-((5-(furan-2-ylmethylthio)-1-methyl-3-phenyl-1H-...)
Show SMILES Cn1nc(c(C=C2SC(=S)NC2=O)c1SCc1ccco1)-c1ccccc1 |w:5.4|
Show InChI InChI=1S/C19H15N3O2S3/c1-22-18(26-11-13-8-5-9-24-13)14(10-15-17(23)20-19(25)27-15)16(21-22)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,20,23,25)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202195
PNG
(5-((5-(benzylthio)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(SCc2ccccc2)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:17.18,c:23|
Show InChI InChI=1S/C21H14F3N3OS3/c22-21(23,24)17-15(11-16-18(28)25-20(29)31-16)19(30-12-13-7-3-1-4-8-13)27(26-17)14-9-5-2-6-10-14/h1-11H,12H2,(H,25,28,29)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50202182
PNG
(5-((5-(2-chlorobenzylthio)-1-methyl-3-(trifluorome...)
Show SMILES Cn1nc(c(C=C2SC(=S)NC2=O)c1SCc1ccccc1Cl)C(F)(F)F |w:5.4|
Show InChI InChI=1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-4-2-3-5-10(8)17)9(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)
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n/an/a 2.32E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50202186
PNG
((Z)-5-((5-(4-chlorobenzylthio)-1-methyl-3-(trifluo...)
Show SMILES Cn1nc(c(C=C2SC(S)=NC2=O)c1SCc1ccc(Cl)cc1)C(F)(F)F |w:5.4,c:9|
Show InChI InChI=1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-2-4-9(17)5-3-8)10(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS4 by FRET assay


Bioorg Med Chem Lett 17: 1189-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.020
BindingDB Entry DOI: 10.7270/Q2JW8DK5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%