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53 similar compounds to monomer 50035852

Compile data set for download or QSAR
Wt: 283.3
BDBM50035838
Wt: 276.3
BDBM50035840
Wt: 272.3
BDBM50035842
Wt: 288.3
BDBM50035846
Wt: 302.3
BDBM50035849
Wt: 487.5
BDBM50078184
Wt: 460.5
BDBM50078185
Wt: 461.5
BDBM50078187
Wt: 487.6
BDBM50078188
Wt: 486.6
BDBM50078192
Wt: 444.5
BDBM50078193
Wt: 527.5
BDBM50078194
Wt: 528.5
BDBM50078195
Wt: 460.5
BDBM50078197
Wt: 460.5
BDBM50078198
Displayed 1 to 15 (of 53 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50035838,50035840,50035842,50035846,50035849,50078184,50078185,50078187,50078188,50078192,50078193,50078194,50078195,50078197,50078198   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035838
PNG
(CHEMBL3352892)
Show SMILES C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078198
PNG
(CHEMBL3417743)
Show SMILES COc1ccc(Oc2cccc(c2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O6S/c1-30-17-5-7-18(8-6-17)31-19-3-2-4-20(15-19)32(28,29)23(21(26)25-27)10-9-22(16-23)11-13-24-14-12-22/h2-8,15,24,27H,9-14,16H2,1H3,(H,25,26)
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n/an/a 189n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035846
PNG
(CHEMBL3359912)
Show SMILES CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035838
PNG
(CHEMBL3352892)
Show SMILES C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50035840
PNG
(CHEMBL3359929)
Show SMILES C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035838
PNG
(CHEMBL3352892)
Show SMILES C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035840
PNG
(CHEMBL3359929)
Show SMILES C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035846
PNG
(CHEMBL3359912)
Show SMILES CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035846
PNG
(CHEMBL3359912)
Show SMILES CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035838
PNG
(CHEMBL3352892)
Show SMILES C[C@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N
Show InChI InChI=1S/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035840
PNG
(CHEMBL3359929)
Show SMILES C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035846
PNG
(CHEMBL3359912)
Show SMILES CC1(C)[C@@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C
Show InChI InChI=1S/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078184
PNG
(CHEMBL3417757)
Show SMILES CNC(=O)c1cccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)c1
Show InChI InChI=1S/C24H29N3O6S/c1-25-21(28)17-3-2-4-19(15-17)33-18-5-7-20(8-6-18)34(31,32)24(22(29)27-30)10-9-23(16-24)11-13-26-14-12-23/h2-8,15,26,30H,9-14,16H2,1H3,(H,25,28)(H,27,29)
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n/an/a 65n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078185
PNG
(CHEMBL3417756)
Show SMILES COc1ccccc1Oc1ccc(cc1)S(=O)(=O)C1(CCC2(C1)CCNCC2)C(=O)NO
Show InChI InChI=1S/C23H28N2O6S/c1-30-19-4-2-3-5-20(19)31-17-6-8-18(9-7-17)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 916n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078187
PNG
(CHEMBL3417754)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cn1
Show InChI InChI=1S/C22H27N3O6S/c1-30-19-7-4-17(14-24-19)31-16-2-5-18(6-3-16)32(28,29)22(20(26)25-27)9-8-21(15-22)10-12-23-13-11-21/h2-7,14,23,27H,8-13,15H2,1H3,(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078188
PNG
(CHEMBL3417753)
Show SMILES CN(C)Cc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O5S/c1-28(2)17-19-3-5-20(6-4-19)33-21-7-9-22(10-8-21)34(31,32)25(23(29)27-30)12-11-24(18-25)13-15-26-16-14-24/h3-10,26,30H,11-18H2,1-2H3,(H,27,29)
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n/an/a 7.27E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078192
PNG
(CHEMBL3417749)
Show SMILES CC(C)(C)c1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C26H34N2O5S/c1-24(2,3)19-4-6-20(7-5-19)33-21-8-10-22(11-9-21)34(31,32)26(23(29)28-30)13-12-25(18-26)14-16-27-17-15-25/h4-11,27,30H,12-18H2,1-3H3,(H,28,29)
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n/an/a 21n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078193
PNG
(CHEMBL3417748)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O5S/c1-17-2-4-18(5-3-17)30-19-6-8-20(9-7-19)31(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078194
PNG
(CHEMBL3417747)
Show SMILES ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H28F3N3O5S/c25-24(26,27)35-19-5-1-17(2-6-19)15-29-18-3-7-20(8-4-18)36(33,34)23(21(31)30-32)10-9-22(16-23)11-13-28-14-12-22/h1-8,28-29,32H,9-16H2,(H,30,31)
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n/an/a 114n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078195
PNG
(CHEMBL3417746)
Show SMILES ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H27F3N2O6S/c25-24(26,27)35-19-3-1-17(2-4-19)15-34-18-5-7-20(8-6-18)36(32,33)23(21(30)29-31)10-9-22(16-23)11-13-28-14-12-22/h1-8,28,31H,9-16H2,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078197
PNG
(CHEMBL3417744)
Show SMILES COc1ccc(Oc2ccccc2S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O6S/c1-30-17-6-8-18(9-7-17)31-19-4-2-3-5-20(19)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50078198
PNG
(CHEMBL3417743)
Show SMILES COc1ccc(Oc2cccc(c2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O6S/c1-30-17-5-7-18(8-6-17)31-19-3-2-4-20(15-19)32(28,29)23(21(26)25-27)10-9-22(16-23)11-13-24-14-12-22/h2-8,15,24,27H,9-14,16H2,1H3,(H,25,26)
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n/an/a 178n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50078195
PNG
(CHEMBL3417746)
Show SMILES ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H27F3N2O6S/c25-24(26,27)35-19-3-1-17(2-4-19)15-34-18-5-7-20(8-6-18)36(32,33)23(21(30)29-31)10-9-22(16-23)11-13-28-14-12-22/h1-8,28,31H,9-16H2,(H,29,30)
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n/an/a 5.03E+4n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel after 2 hrs by fluorescence polarization assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078184
PNG
(CHEMBL3417757)
Show SMILES CNC(=O)c1cccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)c1
Show InChI InChI=1S/C24H29N3O6S/c1-25-21(28)17-3-2-4-19(15-17)33-18-5-7-20(8-6-18)34(31,32)24(22(29)27-30)10-9-23(16-24)11-13-26-14-12-23/h2-8,15,26,30H,9-14,16H2,1H3,(H,25,28)(H,27,29)
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n/an/a 89n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078185
PNG
(CHEMBL3417756)
Show SMILES COc1ccccc1Oc1ccc(cc1)S(=O)(=O)C1(CCC2(C1)CCNCC2)C(=O)NO
Show InChI InChI=1S/C23H28N2O6S/c1-30-19-4-2-3-5-20(19)31-17-6-8-18(9-7-17)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 739n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078187
PNG
(CHEMBL3417754)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cn1
Show InChI InChI=1S/C22H27N3O6S/c1-30-19-7-4-17(14-24-19)31-16-2-5-18(6-3-16)32(28,29)22(20(26)25-27)9-8-21(15-22)10-12-23-13-11-21/h2-7,14,23,27H,8-13,15H2,1H3,(H,25,26)
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n/an/a 62n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078188
PNG
(CHEMBL3417753)
Show SMILES CN(C)Cc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O5S/c1-28(2)17-19-3-5-20(6-4-19)33-21-7-9-22(10-8-21)34(31,32)25(23(29)27-30)12-11-24(18-25)13-15-26-16-14-24/h3-10,26,30H,11-18H2,1-2H3,(H,27,29)
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n/an/a 7.81E+3n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078192
PNG
(CHEMBL3417749)
Show SMILES CC(C)(C)c1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C26H34N2O5S/c1-24(2,3)19-4-6-20(7-5-19)33-21-8-10-22(11-9-21)34(31,32)26(23(29)28-30)13-12-25(18-26)14-16-27-17-15-25/h4-11,27,30H,12-18H2,1-3H3,(H,28,29)
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n/an/a 42n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078193
PNG
(CHEMBL3417748)
Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O5S/c1-17-2-4-18(5-3-17)30-19-6-8-20(9-7-19)31(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078194
PNG
(CHEMBL3417747)
Show SMILES ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H28F3N3O5S/c25-24(26,27)35-19-5-1-17(2-6-19)15-29-18-3-7-20(8-4-18)36(33,34)23(21(31)30-32)10-9-22(16-23)11-13-28-14-12-22/h1-8,28-29,32H,9-16H2,(H,30,31)
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n/an/a 184n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078195
PNG
(CHEMBL3417746)
Show SMILES ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H27F3N2O6S/c25-24(26,27)35-19-3-1-17(2-4-19)15-34-18-5-7-20(8-6-18)36(32,33)23(21(30)29-31)10-9-22(16-23)11-13-28-14-12-22/h1-8,28,31H,9-16H2,(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50078197
PNG
(CHEMBL3417744)
Show SMILES COc1ccc(Oc2ccccc2S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O6S/c1-30-17-6-8-18(9-7-17)31-19-4-2-3-5-20(19)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
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n/an/a 2.54E+4n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035840
PNG
(CHEMBL3359929)
Show SMILES C[C@@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair