Found 142 hits with Last Name = 'smiljanic-hurley' and Initial = 'e' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467114
(CHEMBL4285682)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)C2CCNCC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN6S/c1-37-18-13-23(14-19-37)29-36-27(22-2-6-24(31)7-3-22)28(38-29)26-12-17-33-30(35-26)34-25-8-4-20(5-9-25)21-10-15-32-16-11-21/h2-9,12,17,21,23,32H,10-11,13-16,18-19H2,1H3,(H,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467117
(CHEMBL4288816)Show SMILES Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)C1CCNCC1 Show InChI InChI=1S/C28H30FN7S/c29-21-3-1-19(2-4-21)25-26(37-27(35-25)20-9-12-30-13-10-20)24-11-14-32-28(34-24)33-22-5-7-23(8-6-22)36-17-15-31-16-18-36/h1-8,11,14,20,30-31H,9-10,12-13,15-18H2,(H,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467123
(CHEMBL4288103)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H32FN7S/c1-36-16-11-21(12-17-36)28-35-26(20-2-4-22(30)5-3-20)27(38-28)25-10-13-32-29(34-25)33-23-6-8-24(9-7-23)37-18-14-31-15-19-37/h2-10,13,21,31H,11-12,14-19H2,1H3,(H,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467126
(CHEMBL4286880)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C30H35N7O2S2/c1-36-16-11-21(12-17-36)29-35-27(22-4-3-5-25(20-22)41(2,38)39)28(40-29)26-10-13-32-30(34-26)33-23-6-8-24(9-7-23)37-18-14-31-15-19-37/h3-10,13,20-21,31H,11-12,14-19H2,1-2H3,(H,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467122
(CHEMBL4279865)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H34FN7S/c1-36-15-12-22(13-16-36)29-35-27(21-3-5-23(31)6-4-21)28(39-29)26-11-14-32-30(34-26)33-24-7-9-25(10-8-24)38-19-17-37(2)18-20-38/h3-11,14,22H,12-13,15-20H2,1-2H3,(H,32,33,34) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507968
(CHEMBL4444153)Show InChI InChI=1S/C18H23N5O/c1-12(2)23-11-13(10-20-23)17-16-15(21-22-17)8-9-19-18(16)24-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,21,22) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ... |
Bioorg Med Chem Lett 29: 668-673 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.058
BindingDB Entry DOI: 10.7270/Q2KD2269 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401907
(CHEMBL2207181)Show InChI InChI=1S/C18H21BrFN5O/c19-15-11-23-18(24-14-7-2-6-13(20)10-14)25-16(15)21-8-3-9-22-17(26)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9H2,(H,22,26)(H2,21,23,24,25) | PDB
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401928
(CHEMBL2207195)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1 Show InChI InChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32) | PDB
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| CHEMBL
PC cid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401913
(CHEMBL2207214)Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29) | PDB
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| CHEMBL
PC cid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401915
(CHEMBL2207212)Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28) | PDB
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| CHEMBL
PC cid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467128
(CHEMBL4286841)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C24H29FN6O2S2/c1-31-11-8-16(9-12-31)23-29-21(17-5-6-18(25)20(13-17)30-35(2,32)33)22(34-23)19-7-10-26-24(28-19)27-14-15-3-4-15/h5-7,10,13,15-16,30H,3-4,8-9,11-12,14H2,1-2H3,(H,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401903
(CHEMBL2207194)Show SMILES O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50182362
(4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-i...)Show SMILES CN(C)Cc1ccn2c(c(nc2c1)-c1ccc(F)cc1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401927
(CHEMBL2207199)Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30) | PDB
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| CHEMBL
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UniChem
| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401914
(CHEMBL2207213)Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29) | PDB
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM105071
(US8569281, 39)Show SMILES C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12 Show InChI InChI=1S/C19H23N5O2/c1-2-4-14(3-1)24-12-13(11-21-24)18-17-16(22-23-18)5-8-20-19(17)26-15-6-9-25-10-7-15/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,22,23) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ... |
Bioorg Med Chem Lett 29: 668-673 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.058
BindingDB Entry DOI: 10.7270/Q2KD2269 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401918
(CHEMBL2207209)Show SMILES CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 Show InChI InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467124
(CHEMBL4283774)Show InChI InChI=1S/C18H17FN4S/c1-23-9-7-13(10-23)18-22-16(12-2-4-14(19)5-3-12)17(24-18)15-6-8-20-11-21-15/h2-6,8,11,13H,7,9-10H2,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467127
(CHEMBL4284547)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NCC2CC2)n1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C24H29N5O2S2/c1-29-12-9-17(10-13-29)23-28-21(18-4-3-5-19(14-18)33(2,30)31)22(32-23)20-8-11-25-24(27-20)26-15-16-6-7-16/h3-5,8,11,14,16-17H,6-7,9-10,12-13,15H2,1-2H3,(H,25,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401902
(CHEMBL2207196)Show SMILES CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1 Show InChI InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29) | PDB
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401910
(CHEMBL2207217)Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 Show InChI InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401900
(CHEMBL2207198)Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50168171
(4-(2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1...)Show SMILES CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401911
(CHEMBL2207216)Show SMILES CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 Show InChI InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401920
(CHEMBL2207206)Show SMILES Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12 Show InChI InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401917
(CHEMBL2207210)Show SMILES CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 Show InChI InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401922
(CHEMBL2207204)Show SMILES O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401901
(CHEMBL2207197)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1 Show InChI InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401908
(CHEMBL2207180)Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1 Show InChI InChI=1S/C19H23BrFN5O/c20-16-12-24-19(25-15-8-3-7-14(21)11-15)26-17(16)22-9-4-10-23-18(27)13-5-1-2-6-13/h3,7-8,11-13H,1-2,4-6,9-10H2,(H,23,27)(H2,22,24,25,26) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401899
(CHEMBL2207208)Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401906
(CHEMBL2207187)Show SMILES Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1 Show InChI InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401909
(CHEMBL2207218)Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1 Show InChI InChI=1S/C18H17BrFN5OS/c19-14-11-23-18(24-13-5-1-4-12(20)10-13)25-16(14)21-7-3-8-22-17(26)15-6-2-9-27-15/h1-2,4-6,9-11H,3,7-8H2,(H,22,26)(H2,21,23,24,25) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467116
(CHEMBL4287934)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NC2CCOCC2)n1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C25H31N5O3S2/c1-30-12-7-17(8-13-30)24-29-22(18-4-3-5-20(16-18)35(2,31)32)23(34-24)21-6-11-26-25(28-21)27-19-9-14-33-15-10-19/h3-6,11,16-17,19H,7-10,12-15H2,1-2H3,(H,26,27,28) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401912
(CHEMBL2207215)Show SMILES O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401924
(CHEMBL2207202)Show SMILES O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401916
(CHEMBL2207211)Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401905
(CHEMBL2207192)Show SMILES O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507979
(CHEMBL4589022)Show InChI InChI=1S/C17H21N5O2/c1-11(2)22-10-12(9-19-22)16-15-14(20-21-16)3-6-18-17(15)24-13-4-7-23-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,21) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ... |
Bioorg Med Chem Lett 29: 668-673 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.058
BindingDB Entry DOI: 10.7270/Q2KD2269 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507672
(CHEMBL4460272)Show SMILES C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12 Show InChI InChI=1S/C20H23N5O3/c1-5-21-17(25-7-11-27-12-8-25)13-14(1)19-18-16(23-24-19)2-6-22-20(18)28-15-3-9-26-10-4-15/h1-2,5-6,13,15H,3-4,7-12H2,(H,23,24) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ... |
Bioorg Med Chem Lett 29: 668-673 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.058
BindingDB Entry DOI: 10.7270/Q2KD2269 |
More data for this
Ligand-Target Pair | |
MAP/microtubule affinity-regulating kinase 3
(Homo sapiens (Human)) | BDBM50401900
(CHEMBL2207198)Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of MARK3 |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401926
(CHEMBL2207200)Show InChI InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50507981
(CHEMBL4561299)Show SMILES CC(C)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12 Show InChI InChI=1S/C18H23N5O2/c1-12(2)10-23-11-13(9-20-23)17-16-15(21-22-17)3-6-19-18(16)25-14-4-7-24-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,21,22) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ... |
Bioorg Med Chem Lett 29: 668-673 (2019)
Article DOI: 10.1016/j.bmcl.2018.11.058
BindingDB Entry DOI: 10.7270/Q2KD2269 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467121
(CHEMBL4282026)Show SMILES CNc1nccc(n1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1 Show InChI InChI=1S/C20H22FN5S/c1-22-20-23-10-7-16(24-20)18-17(13-3-5-15(21)6-4-13)25-19(27-18)14-8-11-26(2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,23,24) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401925
(CHEMBL2207201)Show SMILES O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1 Show InChI InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401921
(CHEMBL2207205)Show SMILES Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12 Show InChI InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467119
(CHEMBL4281827)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(N)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5S/c1-25-10-7-13(8-11-25)18-24-16(12-2-4-14(20)5-3-12)17(26-18)15-6-9-22-19(21)23-15/h2-6,9,13H,7-8,10-11H2,1H3,(H2,21,22,23) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
cGMP-dependent protein kinase
(Plasmodium falciparum) | BDBM50467118
(CHEMBL4295199)Show SMILES CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NC2CC2)n1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27N5O2S2/c1-28-12-9-15(10-13-28)22-27-20(16-4-3-5-18(14-16)32(2,29)30)21(31-22)19-8-11-24-23(26-19)25-17-6-7-17/h3-5,8,11,14-15,17H,6-7,9-10,12-13H2,1-2H3,(H,24,25,26) | PDB
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LifeArc
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum protein kinase G |
Bioorg Med Chem Lett 28: 3168-3173 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.028
BindingDB Entry DOI: 10.7270/Q21Z473B |
More data for this
Ligand-Target Pair | |
MAP/microtubule affinity-regulating kinase 3
(Homo sapiens (Human)) | BDBM50401899
(CHEMBL2207208)Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of MARK3 |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50401939
(CHEMBL2207178)Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cnccn3)n2)c1 Show InChI InChI=1S/C18H17BrFN7O/c19-14-10-25-18(26-13-4-1-3-12(20)9-13)27-16(14)23-5-2-6-24-17(28)15-11-21-7-8-22-15/h1,3-4,7-11H,2,5-6H2,(H,24,28)(H2,23,25,26,27) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of TBK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50401910
(CHEMBL2207217)Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 Show InChI InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30) | PDB
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MRC Technology
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 by radiometry |
Bioorg Med Chem Lett 22: 7169-73 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45 |
More data for this
Ligand-Target Pair | |
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