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Compile Data Set for Download or QSAR

Found 567 hits with Last Name = 'zmolek' and Initial = 'w'   
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
Cathepsin D


(Homo sapiens (Human))		BDBM50438363
PNG
(CHEMBL2408751)
Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r|
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352620
PNG
(CHEMBL1822151)
Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352621
PNG
(CHEMBL1822152)
Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352624
PNG
(CHEMBL1822305 | US9796706, Compound 139)
Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM16016
PNG
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)
Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)
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n/an/a 1.60n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))		BDBM50438362
PNG
(CHEMBL2408752)
Show SMILES CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r|
Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50481163
PNG
(CHEMBL568933)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1c1cn[nH]c1C2 |TLB:17:16:12.13.14:10|
Show InChI InChI=1S/C15H16ClN3O2S/c16-10-4-6-12(7-5-10)22(20,21)19-11-2-1-3-15(19)13-9-17-18-14(13)8-11/h4-7,9,11,15H,1-3,8H2,(H,17,18)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352620
PNG
(CHEMBL1822151)
Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352628
PNG
(CHEMBL1822309 | US9796706, Compound 136)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352615
PNG
(CHEMBL1822146)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352618
PNG
(CHEMBL1822149)
Show SMILES FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O3S/c19-11-7-31-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(30-18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352621
PNG
(CHEMBL1822152)
Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352624
PNG
(CHEMBL1822305 | US9796706, Compound 139)
Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352614
PNG
(CHEMBL1822145)
Show SMILES Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F
Show InChI InChI=1S/C17H10BrF2N5O2S/c18-9-6-28-17(15(9)16-21-7-22-24-16)23-13(26)5-25-12-4-11(20)10(19)3-8(12)1-2-14(25)27/h1-4,6-7H,5H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352613
PNG
(CHEMBL1822144)
Show SMILES FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccn2n1
Show InChI InChI=1S/C15H9BrF3N7O2S/c16-7-5-29-14(12(7)13-20-6-21-23-13)22-9(27)4-25-10-3-8(15(17,18)19)24-26(10)2-1-11(25)28/h1-3,5-6H,4H2,(H,22,27)(H,20,21,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484305
PNG
(CHEMBL1837046)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC[C@H](C1c1cn[nH]c1C2)c1ccccc1 |r,TLB:10:13:15.17.16:24.19.23|
Show InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)15-6-9-17(10-7-15)31(29,30)28-16-8-11-18(14-4-2-1-3-5-14)21(28)19-13-26-27-20(19)12-16/h1-7,9-10,13,16,18,21H,8,11-12H2,(H,26,27)/t16?,18-,21?/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484309
PNG
(CHEMBL1837047)
Show SMILES Fc1ccccc1C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:19:18:8.17.7:10.15.11|
Show InChI InChI=1S/C21H18F4N4O2S/c22-17-4-2-1-3-15(17)12-7-13-9-18-16(11-27-28-18)19(8-12)29(13)32(30,31)14-5-6-20(26-10-14)21(23,24)25/h1-6,10-13,19H,7-9H2,(H,27,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352609
PNG
(CHEMBL1822140)
Show SMILES Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C16H11BrN6O2S/c17-10-7-26-16(14(10)15-19-8-20-22-15)21-12(24)6-23-11-3-4-18-5-9(11)1-2-13(23)25/h1-5,7-8H,6H2,(H,21,24)(H,19,20,22)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM16016
PNG
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)
Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352626
PNG
(CHEMBL1822307 | US9796706, Compound 131)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3ncco3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O3S/c21-20(22,23)13-2-3-14-11(7-13)1-4-16(29)27(14)9-15(28)26-19-17(12(8-24)10-31-19)18-25-5-6-30-18/h1-7,10H,9H2,(H,26,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50328778
PNG
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r|
Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of NADPH

Bioorg Med Chem Lett 20: 6231-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352610
PNG
(CHEMBL1822141)
Show SMILES FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1
Show InChI InChI=1S/C17H10BrF3N6O2S/c18-9-6-30-16(14(9)15-23-7-24-26-15)25-12(28)5-27-10-3-11(17(19,20)21)22-4-8(10)1-2-13(27)29/h1-4,6-7H,5H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50438361
PNG
(CHEMBL2408753)
Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r|
Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484299
PNG
(CHEMBL1837061)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1csnn1 |TLB:7:10:12.14.13:21.16.20|
Show InChI InChI=1S/C17H16ClN5O2S2/c18-11-1-3-13(4-2-11)27(24,25)23-12-5-10(16-9-26-22-21-16)6-17(23)14-8-19-20-15(14)7-12/h1-4,8-10,12,17H,5-7H2,(H,19,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50352615
PNG
(CHEMBL1822146)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352608
PNG
(CHEMBL1822139)
Show SMILES O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C17H13N7O2S/c18-6-10-8-27-17(15(10)16-20-9-21-23-16)22-13(25)7-24-12-2-1-5-19-11(12)3-4-14(24)26/h1-2,5,8-9H,3-4,7H2,(H,22,25)(H,20,21,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352614
PNG
(CHEMBL1822145)
Show SMILES Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F
Show InChI InChI=1S/C17H10BrF2N5O2S/c18-9-6-28-17(15(9)16-21-7-22-24-16)23-13(26)5-25-12-4-11(20)10(19)3-8(12)1-2-14(25)27/h1-4,6-7H,5H2,(H,23,26)(H,21,22,24)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50438360
PNG
(CHEMBL2408755)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C28H36F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(7-8-28)35-26-6-5-18(11-22(24)26)14-27(2,3)4/h5-6,9-11,13,23-25,31,34H,7-8,12,14-16H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352608
PNG
(CHEMBL1822139)
Show SMILES O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C17H13N7O2S/c18-6-10-8-27-17(15(10)16-20-9-21-23-16)22-13(25)7-24-12-2-1-5-19-11(12)3-4-14(24)26/h1-2,5,8-9H,3-4,7H2,(H,22,25)(H,20,21,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352616
PNG
(CHEMBL1822147)
Show SMILES FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-5-10(18(20,21)22)3-1-9(12)2-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352618
PNG
(CHEMBL1822149)
Show SMILES FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O3S/c19-11-7-31-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(30-18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352622
PNG
(CHEMBL1822153 | US9796706, Compound 149)
Show SMILES Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncco1
Show InChI InChI=1S/C17H13BrN4O3S/c18-10-9-26-17(15(10)16-20-6-7-25-16)21-13(23)8-22-12-2-1-5-19-11(12)3-4-14(22)24/h1-2,5-7,9H,3-4,8H2,(H,21,23)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352610
PNG
(CHEMBL1822141)
Show SMILES FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1
Show InChI InChI=1S/C17H10BrF3N6O2S/c18-9-6-30-16(14(9)15-23-7-24-26-15)25-12(28)5-27-10-3-11(17(19,20)21)22-4-8(10)1-2-13(27)29/h1-4,6-7H,5H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484306
PNG
(CHEMBL1837060)
Show SMILES FC(F)(F)c1csc(n1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:21:20:10.19.9:12.17.13|
Show InChI InChI=1S/C19H15F6N5O2S2/c20-18(21,22)15-2-1-11(6-26-15)34(31,32)30-10-3-9(17-28-16(8-33-17)19(23,24)25)4-14(30)12-7-27-29-13(12)5-10/h1-2,6-10,14H,3-5H2,(H,27,29)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352627
PNG
(CHEMBL1822308 | US9796706, Compound 134)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3nccs3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-14-11(7-13)1-4-16(29)27(14)9-15(28)26-19-17(12(8-24)10-31-19)18-25-5-6-30-18/h1-7,10H,9H2,(H,26,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352622
PNG
(CHEMBL1822153 | US9796706, Compound 149)
Show SMILES Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncco1
Show InChI InChI=1S/C17H13BrN4O3S/c18-10-9-26-17(15(10)16-20-6-7-25-16)21-13(23)8-22-12-2-1-5-19-11(12)3-4-14(22)24/h1-2,5-7,9H,3-4,8H2,(H,21,23)
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n/an/a 7n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352609
PNG
(CHEMBL1822140)
Show SMILES Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C16H11BrN6O2S/c17-10-7-26-16(14(10)15-19-8-20-22-15)21-12(24)6-23-11-3-4-18-5-9(11)1-2-13(23)25/h1-5,7-8H,6H2,(H,21,24)(H,19,20,22)
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n/an/a 7n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50438359
PNG
(CHEMBL2408760)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50438358
PNG
(CHEMBL2408757)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc12 |r|
Show InChI InChI=1S/C28H35F2N3O3/c1-17(34)33-23(11-19-8-20(29)12-21(30)9-19)25(35)15-32-24-14-28(4,5)36-26-7-6-18(10-22(24)26)13-27(2,3)16-31/h6-10,12,23-25,32,35H,11,13-15H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...

Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50484300
PNG
(CHEMBL1837059)
Show SMILES Cc1noc(n1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |THB:18:17:7.16.6:9.14.10|
Show InChI InChI=1S/C18H18ClN5O3S/c1-10-21-18(27-23-10)11-6-13-8-16-15(9-20-22-16)17(7-11)24(13)28(25,26)14-4-2-12(19)3-5-14/h2-5,9,11,13,17H,6-8H2,1H3,(H,20,22)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay

Bioorg Med Chem Lett 21: 5791-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.008
BindingDB Entry DOI: 10.7270/Q27M0BSF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352612
PNG
(CHEMBL1822143)
Show SMILES Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C14H10BrN7O2S/c15-8-6-25-14(12(8)13-16-7-17-20-13)19-9(23)5-21-10-1-3-18-22(10)4-2-11(21)24/h1-4,6-7H,5H2,(H,19,23)(H,16,17,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50328048
PNG
(CHEMBL1257185)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:26:29:32.31.36:34,THB:30:31:34:38.29.37,30:29:32.31.36:34,26:29:32:36.35.34,37:29:32:36.35.34,37:35:32:38.30.29|
Show InChI InChI=1S/C30H41F2N5O2/c1-19(38)34-26(12-20-10-24(31)13-25(32)11-20)27(39)17-33-30(5-3-2-4-6-30)28-18-37(36-35-28)29-14-21-7-22(15-29)9-23(8-21)16-29/h10-11,13,18,21-23,26-27,33,39H,2-9,12,14-17H2,1H3,(H,34,38)/t21?,22?,23?,26-,27+,29?/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D

Bioorg Med Chem Lett 20: 6034-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.070
BindingDB Entry DOI: 10.7270/Q2XK8FSK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352628
PNG
(CHEMBL1822309 | US9796706, Compound 136)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O2S2/c21-20(22,23)13-2-3-15-11(5-13)1-4-17(29)27(15)7-16(28)26-19-18(12(6-24)8-31-19)14-9-30-10-25-14/h1-5,8-10H,7H2,(H,26,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352611
PNG
(CHEMBL1822142)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2n1
Show InChI InChI=1S/C17H10BrF3N6O2S/c18-8-6-30-16(14(8)15-22-7-23-26-15)25-12(28)5-27-10-2-3-11(17(19,20)21)24-9(10)1-4-13(27)29/h1-4,6-7H,5H2,(H,25,28)(H,22,23,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50352612
PNG
(CHEMBL1822143)
Show SMILES Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C14H10BrN7O2S/c15-8-6-25-14(12(8)13-16-7-17-20-13)19-9(23)5-21-10-1-3-18-22(10)4-2-11(21)24/h1-4,6-7H,5H2,(H,19,23)(H,16,17,20)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM50352609
PNG
(CHEMBL1822140)
Show SMILES Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
Show InChI InChI=1S/C16H11BrN6O2S/c17-10-7-26-16(14(10)15-19-8-20-22-15)21-12(24)6-23-11-3-4-18-5-9(11)1-2-13(23)25/h1-5,7-8H,6H2,(H,21,24)(H,19,20,22)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352626
PNG
(CHEMBL1822307 | US9796706, Compound 131)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3ncco3)c(=O)ccc2c1
Show InChI InChI=1S/C20H11F3N4O3S/c21-20(22,23)13-2-3-14-11(7-13)1-4-16(29)27(14)9-15(28)26-19-17(12(8-24)10-31-19)18-25-5-6-30-18/h1-7,10H,9H2,(H,26,28)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352615
PNG
(CHEMBL1822146)
Show SMILES FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-3-2-10(18(20,21)22)5-9(12)1-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50352616
PNG
(CHEMBL1822147)
Show SMILES FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
Show InChI InChI=1S/C18H11BrF3N5O2S/c19-11-7-30-17(15(11)16-23-8-24-26-16)25-13(28)6-27-12-5-10(18(20,21)22)3-1-9(12)2-4-14(27)29/h1-5,7-8H,6H2,(H,25,28)(H,23,24,26)
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay

Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))		BDBM50328038
PNG
(CHEMBL1258467 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)cs1 |r|
Show InChI InChI=1S/C27H38F2N2O2S/c1-18(32)31-23(12-19-10-21(28)14-22(29)11-19)24(33)16-30-27(8-6-5-7-9-27)25-13-20(17-34-25)15-26(2,3)4/h10-11,13-14,17,23-24,30,33H,5-9,12,15-16H2,1-4H3,(H,31,32)/t23-,24+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D

Bioorg Med Chem Lett 20: 6034-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.070
BindingDB Entry DOI: 10.7270/Q2XK8FSK
More data for this
Ligand-Target Pair
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