Found 841 hits with Last Name = 'breinlinger' and Initial = 'ec' 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 |
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 | |
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)) | 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 | |
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)) | 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)) | 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)) | 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 | |
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 | |
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 | |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375120
(CHEMBL403040)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
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 | |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375119
(CHEMBL401868)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2 | PDB
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 Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375116
(CHEMBL403290)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375124
(CHEMBL256457)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H26Cl2N4O2/c1-34(29(38)23-11-10-20-6-2-3-7-22(20)18-23)16-5-17-35-28-25(32)8-4-9-26(28)36(30(35)33)19-27(37)21-12-14-24(31)15-13-21/h2-4,6-15,18,33H,5,16-17,19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375121
(CHEMBL257038)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375116
(CHEMBL403290)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375121
(CHEMBL257038)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375120
(CHEMBL403040)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375116
(CHEMBL403290)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375122
(CHEMBL427833)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375117
(CHEMBL255798)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccn1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375123
(CHEMBL272558)Show SMILES COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375119
(CHEMBL401868)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375122
(CHEMBL427833)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375111
(CHEMBL409499)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24Cl2N4O2/c1-30(25(34)19-7-3-2-4-8-19)15-6-16-31-24-21(28)9-5-10-22(24)32(26(31)29)17-23(33)18-11-13-20(27)14-12-18/h2-5,7-14,29H,6,15-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375116
(CHEMBL403290)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
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 | |
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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50371837
(CHEMBL257663)Show InChI InChI=1S/C18H18ClN3O/c1-3-12-5-4-6-15-17(12)21(2)18(20)22(15)11-16(23)13-7-9-14(19)10-8-13/h4-10,20H,3,11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375117
(CHEMBL255798)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccn1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50375120
(CHEMBL403040)Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375124
(CHEMBL256457)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H26Cl2N4O2/c1-34(29(38)23-11-10-20-6-2-3-7-22(20)18-23)16-5-17-35-28-25(32)8-4-9-26(28)36(30(35)33)19-27(37)21-12-14-24(31)15-13-21/h2-4,6-15,18,33H,5,16-17,19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028437
(CHEMBL3355121)Show SMILES C[C@H]1N2C(COc3cc(c(cc23)[C@H]2CCN(C)C2)-c2ccccc2F)=NNC1=O |r,c:28| Show InChI InChI=1S/C22H23FN4O2/c1-13-22(28)25-24-21-12-29-20-10-17(15-5-3-4-6-18(15)23)16(9-19(20)27(13)21)14-7-8-26(2)11-14/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,28)/t13-,14+/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 | 41 | 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)) | BDBM50028438
(CHEMBL3355120)Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)C2)-c2ccccc2F)=NNC1=O |r,c:28| Show InChI InChI=1S/C22H23FN4O2/c1-13-22(28)25-24-21-12-29-20-10-17(15-5-3-4-6-18(15)23)16(9-19(20)27(13)21)14-7-8-26(2)11-14/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,25,28)/t13-,14?/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 | 42 | 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)) | BDBM50028436
(CHEMBL3355122)Show SMILES C[C@H]1N2C(COc3cc(c(cc23)C2CCN(C)CC2)-c2ccccc2F)=NNC1=O |r,c:29| Show InChI InChI=1S/C23H25FN4O2/c1-14-23(29)26-25-22-13-30-21-12-18(16-5-3-4-6-19(16)24)17(11-20(21)28(14)22)15-7-9-27(2)10-8-15/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,26,29)/t14-/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 | 43 | 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)) | BDBM50049439
(CHEMBL3356472)Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)-c2ccccc2)=NNC1=O |r,c:26| Show InChI InChI=1S/C20H21N5O2/c1-12-20(26)24-23-19-11-27-18-7-15(13-5-3-2-4-6-13)16(8-17(18)25(12)19)22-14-9-21-10-14/h2-8,12,14,21-22H,9-11H2,1H3,(H,24,26)/t12-/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 | 49 | 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 | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50049437
(CHEMBL3356474)Show SMILES C[C@H]1N2C(COc3cc(c(NC4CNC4)cc23)C(F)(F)F)=NNC1=O |r,c:23| Show InChI InChI=1S/C15H16F3N5O2/c1-7-14(24)22-21-13-6-25-12-2-9(15(16,17)18)10(3-11(12)23(7)13)20-8-4-19-5-8/h2-3,7-8,19-20H,4-6H2,1H3,(H,22,24)/t7-/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 | 49 | 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 | |
C-X-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50375123
(CHEMBL272558)Show SMILES COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 3
(Mus musculus) | BDBM50375122
(CHEMBL427833)Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane |
Bioorg Med Chem Lett 18: 2414-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028440
(CHEMBL3355116)Show SMILES CC1N2C(COc3cc(c(NC4(C)CN(C)C4)cc23)-c2ccccc2)=NNC1=O |c:28| Show InChI InChI=1S/C22H25N5O2/c1-14-21(28)25-24-20-11-29-19-9-16(15-7-5-4-6-8-15)17(10-18(19)27(14)20)23-22(2)12-26(3)13-22/h4-10,14,23H,11-13H2,1-3H3,(H,25,28) | 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 | 52 | 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)) | BDBM50049441
(CHEMBL3356470)Show SMILES C[C@H]1N2C(COc3cc(C)c(NC4CNC4)cc23)=NNC1=O |r,c:20| Show InChI InChI=1S/C15H19N5O2/c1-8-3-13-12(4-11(8)17-10-5-16-6-10)20-9(2)15(21)19-18-14(20)7-22-13/h3-4,9-10,16-17H,5-7H2,1-2H3,(H,19,21)/t9-/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 | 55 | 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 | 3D Structure (crystal) |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50028446
(CHEMBL3355114)Show SMILES C[C@H]1N2C(COc3cc(c(NC4(C)CN(C)C4)cc23)C(F)(F)F)=NNC1=O |r,c:25| Show InChI InChI=1S/C17H20F3N5O2/c1-9-15(26)23-22-14-6-27-13-4-10(17(18,19)20)11(5-12(13)25(9)14)21-16(2)7-24(3)8-16/h4-5,9,21H,6-8H2,1-3H3,(H,23,26)/t9-/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 | 57 | 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 | |