Found 1343 hits with Last Name = 'argiriadi' and Initial = 'm' 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 |
|---|
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620450
((S)-5-((1-(difluoromethyl)-5-methyl-1H-pyrazol-4-y...)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C(F)F)c1C | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028417
(CHEMBL3355134)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1c(F)cccc1F |r,wU:1.0,12.13,7.8,c:18,(44.88,-28.71,;43.52,-27.99,;42.21,-28.8,;40.85,-28.09,;39.55,-28.9,;40.8,-26.55,;42.1,-25.73,;43.46,-26.45,;44.91,-25.87,;46.24,-26.64,;47.57,-25.87,;48.91,-26.64,;48.91,-28.17,;47.57,-28.95,;50.24,-28.95,;50.24,-30.49,;51.57,-28.17,;51.57,-26.64,;50.24,-25.87,;50.24,-24.33,;48.91,-23.56,;47.57,-24.33,;46.24,-23.56,;44.91,-24.33,;43.55,-23.55,;43.82,-22.03,;45.26,-21.5,;42.64,-21.04,;41.19,-21.57,;40.93,-23.08,;42.11,-24.07,;41.58,-25.52,)| Show InChI InChI=1S/C24H26F2N4O2/c1-13-11-29(3)8-7-15(13)16-9-20-21(10-17(16)23-18(25)5-4-6-19(23)26)32-12-22-27-28-24(31)14(2)30(20)22/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,31)/t13-,14+,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028422
(CHEMBL3355138)Show SMILES COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:15| Show InChI InChI=1S/C25H29FN4O3/c1-14-12-29(3)8-7-17(14)19-10-22-23(33-13-24-27-28-25(31)15(2)30(22)24)11-20(19)18-6-5-16(32-4)9-21(18)26/h5-6,9-11,14-15,17H,7-8,12-13H2,1-4H3,(H,28,31)/t14-,15+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028420
(CHEMBL3355137)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1F |r,c:18| Show InChI InChI=1S/C25H29FN4O2/c1-14-5-6-18(21(26)9-14)20-11-23-22(10-19(20)17-7-8-29(4)12-15(17)2)30-16(3)25(31)28-27-24(30)13-32-23/h5-6,9-11,15-17H,7-8,12-13H2,1-4H3,(H,28,31)/t15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620443
(US11767310, Example 11)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1C1CC1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028423
(CHEMBL3355127)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:18| Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028439
(CHEMBL3355119)Show SMILES C[C@H](c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F)C1(C)CN(C)C1 |r,c:11| Show InChI InChI=1S/C24H27FN4O2/c1-14(24(3)12-28(4)13-24)17-9-20-21(10-18(17)16-7-5-6-8-19(16)25)31-11-22-26-27-23(30)15(2)29(20)22/h5-10,14-15H,11-13H2,1-4H3,(H,27,30)/t14-,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620438
(US11767310, Example 6)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CCC1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028433
(CHEMBL3355125)Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)CC2(C)C)-c2ccccc2F)=NNC1=O |r,c:31| Show InChI InChI=1S/C25H29FN4O2/c1-15-24(31)28-27-23-13-32-22-12-17(16-7-5-6-8-20(16)26)18(11-21(22)30(15)23)19-9-10-29(4)14-25(19,2)3/h5-8,11-12,15,19H,9-10,13-14H2,1-4H3,(H,28,31)/t15-,19?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028442
(CHEMBL3355118)Show SMILES C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O |r,c:30| Show InChI InChI=1S/C23H26FN5O2/c1-14-22(30)26-25-21-11-31-20-9-16(15-7-5-6-8-17(15)24)18(10-19(20)29(14)21)28(4)23(2)12-27(3)13-23/h5-10,14H,11-13H2,1-4H3,(H,26,30)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620434
(US11767310, Example 2)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)F |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028443
(CHEMBL3355117)Show SMILES C[C@H]1N2C(COc3cc(-c4ccccc4)c(cc23)N(C)C2(C)CN(C)C2)=NNC1=O |r,c:29| Show InChI InChI=1S/C23H27N5O2/c1-15-22(29)25-24-21-12-30-20-10-17(16-8-6-5-7-9-16)18(11-19(20)28(15)21)27(4)23(2)13-26(3)14-23/h5-11,15H,12-14H2,1-4H3,(H,25,29)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028435
(CHEMBL3355123)Show SMILES C[C@H]1CNCC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:17| Show InChI InChI=1S/C23H25FN4O2/c1-13-11-25-8-7-15(13)17-9-20-21(10-18(17)16-5-3-4-6-19(16)24)30-12-22-26-27-23(29)14(2)28(20)22/h3-6,9-10,13-15,25H,7-8,11-12H2,1-2H3,(H,27,29)/t13-,14+,15+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028419
(CHEMBL3355136)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc2OCCOc2c1 |r,c:18| Show InChI InChI=1S/C26H30N4O4/c1-15-13-29(3)7-6-18(15)20-11-21-23(34-14-25-27-28-26(31)16(2)30(21)25)12-19(20)17-4-5-22-24(10-17)33-9-8-32-22/h4-5,10-12,15-16,18H,6-9,13-14H2,1-3H3,(H,28,31)/t15-,16+,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235828
(CHEMBL4090753)Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C20H21N5O3/c1-20(2)13-6-5-12(9-15(13)23-16(26)10-28-20)22-19-24-14-7-8-27-17(14)18(25-19)21-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,23,26)(H2,21,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235829
(CHEMBL4098474)Show SMILES CC1(C)CCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C21H23N5O2/c1-21(2)9-7-17(27)24-16-11-13(5-6-14(16)21)23-20-25-15-8-10-28-18(15)19(26-20)22-12-3-4-12/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,24,27)(H2,22,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028432
(CHEMBL3355126)Show SMILES CCN1CC[C@H]([C@@H](C)C1)c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:19| Show InChI InChI=1S/C25H29FN4O2/c1-4-29-10-9-17(15(2)13-29)19-11-22-23(12-20(19)18-7-5-6-8-21(18)26)32-14-24-27-28-25(31)16(3)30(22)24/h5-8,11-12,15-17H,4,9-10,13-14H2,1-3H3,(H,28,31)/t15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620440
(US11767310, Example 8)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn2CCOCc12 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235831
(CHEMBL4093260)Show SMILES CCNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12 Show InChI InChI=1S/C19H21N5O3/c1-4-20-17-16-13(7-8-26-16)23-18(24-17)21-11-5-6-12-14(9-11)22-15(25)10-27-19(12,2)3/h5-9H,4,10H2,1-3H3,(H,22,25)(H2,20,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028415
(CHEMBL3355132)Show SMILES COc1cccc(c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:14| Show InChI InChI=1S/C25H30N4O3/c1-15-13-28(3)9-8-19(15)21-11-22-23(12-20(21)17-6-5-7-18(10-17)31-4)32-14-24-26-27-25(30)16(2)29(22)24/h5-7,10-12,15-16,19H,8-9,13-14H2,1-4H3,(H,27,30)/t15-,16+,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235816
(CHEMBL4069365)Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620439
(US11767310, Example 7)Show SMILES CN(C[C@@H](O)[C@@H](F)c1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028413
(CHEMBL3355130)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1C |r,c:18| Show InChI InChI=1S/C25H30N4O2/c1-15-7-5-6-8-18(15)21-12-23-22(11-20(21)19-9-10-28(4)13-16(19)2)29-17(3)25(30)27-26-24(29)14-31-23/h5-8,11-12,16-17,19H,9-10,13-14H2,1-4H3,(H,27,30)/t16-,17+,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235830
(CHEMBL2006765)Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Syk (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620446
(US11767310, Example 14)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cnc(C)c(c1)C#Cc1cnn(C)c1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235816
(CHEMBL4069365)Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12 Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Syk (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM50264866
(4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...)Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant COT by HTRF-based assay |
Bioorg Med Chem Lett 18: 4952-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028416
(CHEMBL3355133)Show SMILES COc1ccc(cc1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:14| Show InChI InChI=1S/C25H30N4O3/c1-15-13-28(3)10-9-19(15)21-11-22-23(12-20(21)17-5-7-18(31-4)8-6-17)32-14-24-26-27-25(30)16(2)29(22)24/h5-8,11-12,15-16,19H,9-10,13-14H2,1-4H3,(H,27,30)/t15-,16+,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620433
(US11767310, Example 1)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235818
(CHEMBL4071441)Show SMILES COC(=O)N[C@@H]1CC(C)(C)c2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2NC1=O |r| Show InChI InChI=1S/C23H26N6O4/c1-23(2)11-17(28-22(31)32-3)20(30)26-16-10-13(6-7-14(16)23)25-21-27-15-8-9-33-18(15)19(29-21)24-12-4-5-12/h6-10,12,17H,4-5,11H2,1-3H3,(H,26,30)(H,28,31)(H2,24,25,27,29)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235821
(CHEMBL4100939)Show SMILES CC(C)Nc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12 Show InChI InChI=1S/C20H23N5O3/c1-11(2)21-18-17-14(7-8-27-17)24-19(25-18)22-12-5-6-13-15(9-12)23-16(26)10-28-20(13,3)4/h5-9,11H,10H2,1-4H3,(H,23,26)(H2,21,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620444
(US11767310, Example 12)Show SMILES CN(C[C@@H](O)Cc1cccc(F)c1)C(=O)c1cncc(c1)C#Cc1cnn(C)c1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620437
(US11767310, Example 5)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C1CC1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028410
(CHEMBL3355128)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1cccc(F)c1 |r,c:18| Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)8-7-18(14)20-10-21-22(11-19(20)16-5-4-6-17(25)9-16)31-13-23-26-27-24(30)15(2)29(21)23/h4-6,9-11,14-15,18H,7-8,12-13H2,1-3H3,(H,27,30)/t14-,15+,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028434
(CHEMBL3355124)Show SMILES C[C@@H]1CN(C)CC[C@@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:18| Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235830
(CHEMBL2006765)Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620441
(US11767310, Example 9)Show SMILES CN(C[C@H](O)Cc1ccccc1)C(=O)c1cnc(C(F)F)c(c1)C#Cc1cnn(C)c1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50305006
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 20: 334-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028412
(CHEMBL3355129)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(F)cc1 |r,c:18| Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-18(14)20-10-21-22(11-19(20)16-4-6-17(25)7-5-16)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-15,18H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50305013
(3-(2-amino-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol...)Show SMILES Nc1ncc2n(CCC(O)=O)cc(-c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)c2n1 Show InChI InChI=1S/C24H18N6O2S/c25-24-26-11-18-23(28-24)17(12-30(18)6-5-21(31)32)14-7-15-10-27-29-22(15)16(8-14)20-9-13-3-1-2-4-19(13)33-20/h1-4,7-12H,5-6H2,(H,27,29)(H,31,32)(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 20: 334-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235827
(CHEMBL4081974)Show SMILES COC(=O)N[C@@H]1CC(C)(C)c2ccc(Nc3nc(NCC(F)F)c4occc4n3)cc2NC1=O |r| Show InChI InChI=1S/C22H24F2N6O4/c1-22(2)9-15(29-21(32)33-3)19(31)27-14-8-11(4-5-12(14)22)26-20-28-13-6-7-34-17(13)18(30-20)25-10-16(23)24/h4-8,15-16H,9-10H2,1-3H3,(H,27,31)(H,29,32)(H2,25,26,28,30)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028445
(CHEMBL3355112)Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24| Show InChI InChI=1S/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 222-36 (2015)
Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235833
(CHEMBL4062803)Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR... |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028445
(CHEMBL3355112)Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:24| Show InChI InChI=1S/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028414
(CHEMBL3355131)Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1 |r,c:18| Show InChI InChI=1S/C25H30N4O2/c1-15-5-7-18(8-6-15)20-12-23-22(11-21(20)19-9-10-28(4)13-16(19)2)29-17(3)25(30)27-26-24(29)14-31-23/h5-8,11-12,16-17,19H,9-10,13-14H2,1-4H3,(H,27,30)/t16-,17+,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ... |
J Med Chem 58: 333-46 (2015)
Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50235833
(CHEMBL4062803)Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Syk (unknown origin) after 60 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5562-5567 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620436
(US11767310, Example 4)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnn(c1)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM620449
(US11767310, Example 17)Show SMILES CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cncc(c1)C#Cc1cnc(C)o1 |r| | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50305006
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IKK1 |
Bioorg Med Chem Lett 20: 334-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50305007
(5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-...)Show SMILES NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12 Show InChI InChI=1S/C24H21N7S/c25-6-3-7-31-13-18(23-19(31)12-27-24(26)29-23)15-8-16-11-28-30-22(16)17(9-15)21-10-14-4-1-2-5-20(14)32-21/h1-2,4-5,8-13H,3,6-7,25H2,(H,28,30)(H2,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 20: 334-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.103
BindingDB Entry DOI: 10.7270/Q2VD6ZJJ |
More data for this
Ligand-Target Pair | |
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