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Compile Data Set for Download or QSAR

Found 320 hits with Last Name = 'tart' and Initial = 'j'   
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
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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<1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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<1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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1.10n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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2n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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3n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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4.90n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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7n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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8.80n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50108567
PNG
(5-Phenylmethanesulfonylamino-[1,3,4]thiadiazole-2-...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C9H10N4O4S3/c10-20(16,17)9-12-11-8(18-9)13-19(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,10,16,17)
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9n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O |c:2|
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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9n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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10.1n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O |c:2|
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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11.4n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM92939
PNG
(Methazolamide, MZM)
Show SMILES CC1N=C(S\C1=N\C(C)=O)S(N)(=O)=O |c:2|
Show InChI InChI=1S/C6H9N3O3S2/c1-3-5(9-4(2)10)13-6(8-3)14(7,11)12/h3H,1-2H3,(H2,7,11,12)/b9-5+
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11.8n/an/an/an/an/an/an/an/a



University of Florida



Assay Description
Inhibition assay using carbonic anhydrases.


Biochemistry 48: 1322-31 (2009)


Article DOI: 10.1021/bi802035f
BindingDB Entry DOI: 10.7270/Q2HX1B94
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>1n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a>1n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345537
PNG
(CHEMBL1784369 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345535
PNG
(CHEMBL1784371 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O)C(F)(F)F
Show InChI InChI=1S/C27H38F3N3O5S/c1-20-17-24(27(28,29)30)8-7-22(20)6-5-21-9-13-32(14-10-21)39(37,38)18-26(33(36)19-34)11-15-31(16-12-26)25(35)23-3-2-4-23/h7-8,17,19,21,23,36H,2-6,9-16,18H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345534
PNG
(CHEMBL1784359 | N-(4-((4-(2-cyclopropyl-4-(methyls...)
Show SMILES CS(=O)(=O)c1ccc(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c(c1)C1CC1
Show InChI InChI=1S/C24H36N2O7S2/c1-34(29,30)22-7-6-20(23(16-22)21-4-5-21)3-2-19-8-12-25(13-9-19)35(31,32)17-24(26(28)18-27)10-14-33-15-11-24/h6-7,16,18-19,21,28H,2-5,8-15,17H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345539
PNG
(CHEMBL1784336 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1cc(F)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38FN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a>3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of wild type NPM/ALK autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345538
PNG
(CHEMBL1784337 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1ccccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H39N3O5S/c1-21-5-2-3-6-23(21)10-9-22-11-15-28(16-12-22)35(33,34)19-26(29(32)20-30)13-17-27(18-14-26)25(31)24-7-4-8-24/h2-3,5-6,20,22,24,32H,4,7-19H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345514
PNG
(CHEMBL1784339 | N-(4-((4-(4-fluoro-2-methylpheneth...)
Show SMILES Cc1cc(F)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31FN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345507
PNG
(CHEMBL1784363 | N-hydroxy-N-(4-((4-(2-methylphenet...)
Show SMILES Cc1ccccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H32N2O5S/c1-18-4-2-3-5-20(18)7-6-19-8-12-22(13-9-19)29(26,27)16-21(23(25)17-24)10-14-28-15-11-21/h2-5,17,19,25H,6-16H2,1H3
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n/an/a 5.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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n/an/a 5.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345536
PNG
(CHEMBL1784370 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccc(F)cc3C(F)(F)F)CC2)CCN(CC1)C(=O)C1CCC1
Show InChI InChI=1S/C26H35F4N3O5S/c27-22-7-6-20(23(16-22)26(28,29)30)5-4-19-8-12-32(13-9-19)39(37,38)17-25(33(36)18-34)10-14-31(15-11-25)24(35)21-2-1-3-21/h6-7,16,18-19,21,36H,1-5,8-15,17H2
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345524
PNG
(CHEMBL1784350 | N-(4-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCOC(C)(C)C1)N(O)C=O
Show InChI InChI=1S/C21H35N3O6S/c1-16-19(17(2)30-22-16)6-5-18-7-10-23(11-8-18)31(27,28)14-21(24(26)15-25)9-12-29-20(3,4)13-21/h15,18,26H,5-14H2,1-4H3
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n/an/a 9.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345520
PNG
(CHEMBL1784345 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C24H38N4O6S/c1-18-22(19(2)34-25-18)7-6-20-8-12-27(13-9-20)35(32,33)16-24(28(31)17-29)10-14-26(15-11-24)23(30)21-4-3-5-21/h17,20-21,31H,3-16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345539
PNG
(CHEMBL1784336 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1cc(F)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38FN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345516
PNG
(CHEMBL1784341 | N-(1-(azetidine-1-carbonyl)-4-((4-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)N1CCC1)N(O)C=O
Show InChI InChI=1S/C23H37N5O6S/c1-18-21(19(2)34-24-18)5-4-20-6-12-27(13-7-20)35(32,33)16-23(28(31)17-29)8-14-26(15-9-23)22(30)25-10-3-11-25/h17,20,31H,3-16H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345538
PNG
(CHEMBL1784337 | N-(1-(cyclobutanecarbonyl)-4-((4-(...)
Show SMILES Cc1ccccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H39N3O5S/c1-21-5-2-3-6-23(21)10-9-22-11-15-28(16-12-22)35(33,34)19-26(29(32)20-30)13-17-27(18-14-26)25(31)24-7-4-8-24/h2-3,5-6,20,22,24,32H,4,7-19H2,1H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345511
PNG
(CHEMBL1784366 | N-(4-((4-(2-(3,5-dimethylisothiazo...)
Show SMILES Cc1nsc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C19H31N3O5S2/c1-15-18(16(2)28-20-15)4-3-17-5-9-21(10-6-17)29(25,26)13-19(22(24)14-23)7-11-27-12-8-19/h14,17,24H,3-13H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 15n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345522
PNG
(CHEMBL1784347 | N-(4-{4-[2-(3,5-Dimethyl-isoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCS(=O)(=O)CC1)N(O)C=O
Show InChI InChI=1S/C19H31N3O7S2/c1-15-18(16(2)29-20-15)4-3-17-5-9-21(10-6-17)31(27,28)13-19(22(24)14-23)7-11-30(25,26)12-8-19/h14,17,24H,3-13H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345513
PNG
(CHEMBL1784338 | N-(4-((4-(2-(2,5-dimethylpyridin-4...)
Show SMILES Cc1cc(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c(C)cn1
Show InChI InChI=1S/C21H33N3O5S/c1-17-14-22-18(2)13-20(17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345525
PNG
(CHEMBL1784351 | N-(4-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES CN1CCC(CS(=O)(=O)N2CCC(CCc3c(C)noc3C)CC2)(CC1)N(O)C=O
Show InChI InChI=1S/C20H34N4O5S/c1-16-19(17(2)29-21-16)5-4-18-6-10-23(11-7-18)30(27,28)14-20(24(26)15-25)8-12-22(3)13-9-20/h15,18,26H,4-14H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345521
PNG
(CHEMBL1784346 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCC(F)(F)CC1)N(O)C=O
Show InChI InChI=1S/C20H31F2N3O5S/c1-15-18(16(2)30-23-15)4-3-17-5-11-24(12-6-17)31(28,29)13-19(25(27)14-26)7-9-20(21,22)10-8-19/h14,17,27H,3-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345537
PNG
(CHEMBL1784369 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Show InChI InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345532
PNG
(CHEMBL1784357 | N-(4-((4-(4-fluorophenyl)piperazin...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCOCC1
Show InChI InChI=1S/C17H24FN3O5S/c18-15-1-3-16(4-2-15)19-7-9-20(10-8-19)27(24,25)13-17(21(23)14-22)5-11-26-12-6-17/h1-4,14,23H,5-13H2
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50337735
PNG
(CHEMBL1615187 | N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2c(C)noc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C23H34FN5O5S/c1-16(22-25-12-20(24)13-26-22)11-23(4,29(31)15-30)14-35(32,33)28-9-7-19(8-10-28)5-6-21-17(2)27-34-18(21)3/h12-13,15-16,19,31H,5-11,14H2,1-4H3/t16-,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345523
PNG
(CHEMBL1784348 | N-(1-acetyl-4-((4-(2-(3,5-dimethyl...)
Show SMILES CC(=O)N1CCC(CS(=O)(=O)N2CCC(CCc3c(C)noc3C)CC2)(CC1)N(O)C=O
Show InChI InChI=1S/C21H34N4O6S/c1-16-20(17(2)31-22-16)5-4-19-6-10-24(11-7-19)32(29,30)14-21(25(28)15-26)8-12-23(13-9-21)18(3)27/h15,19,28H,4-14H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 25n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
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