Found 257 hits with Last Name = 'settimo' and Initial = 'l' 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)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427367
(CHEMBL2325998)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O |r| Show InChI InChI=1S/C20H25FN6O2/c1-11(2)20(3,29)15-10-27(8-7-22-15)19-14(28)9-13(21)17(24-19)16-12-5-4-6-23-18(12)26-25-16/h4-6,9,11,15,22,28-29H,7-8,10H2,1-3H3,(H,23,25,26)/t15-,20+/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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427365
(CHEMBL2326000)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO |r| Show InChI InChI=1S/C21H27FN6O2/c1-12(2)21(3,30)16-10-28(8-7-23-16)20-13(11-29)9-15(22)18(25-20)17-14-5-4-6-24-19(14)27-26-17/h4-6,9,12,16,23,29-30H,7-8,10-11H2,1-3H3,(H,24,26,27)/t16-,21+/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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427364
(CHEMBL2326001)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1F |r| Show InChI InChI=1S/C20H24F2N6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427370
(CHEMBL2326007)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20+/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
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525600
(CHEMBL4469412)Show InChI InChI=1S/C18H18N4/c1-3-8-18(2,12-19)14-6-4-5-13(10-14)15-7-9-20-17-16(15)11-21-22-17/h1,4-7,9-11H,8,12,19H2,2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525603
(CHEMBL4528271)Show InChI InChI=1S/C17H19ClN4/c1-3-17(2,10-19)12-6-4-5-11(9-12)13-7-8-20-16-14(13)15(18)21-22-16/h4-9H,3,10,19H2,1-2H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525602
(CHEMBL4569479)Show SMILES CCC(C)(CN)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H19F3N4/c1-3-17(2,10-22)12-6-4-5-11(9-12)13-7-8-23-16-14(13)15(24-25-16)18(19,20)21/h4-9H,3,10,22H2,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387328
(CHEMBL2046649)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C25H29N5O/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28)/t19-/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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525604
(CHEMBL4532737)Show InChI InChI=1S/C18H22N4/c1-4-18(3,11-19)14-7-5-6-13(10-14)15-8-9-20-17-16(15)12(2)21-22-17/h5-10H,4,11,19H2,1-3H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427374
(CHEMBL2326009)Show SMILES CC(C)[C@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20-/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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PKC epsilon (unknown origin) |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427366
(CHEMBL2325999)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1C#N |r| Show InChI InChI=1S/C21H24FN7O/c1-12(2)21(3,30)16-11-29(8-7-24-16)20-13(10-23)9-15(22)18(26-20)17-14-5-4-6-25-19(14)28-27-17/h4-6,9,12,16,24,30H,7-8,11H2,1-3H3,(H,25,27,28)/t16-,21+/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
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387349
(CHEMBL2046644)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525587
(CHEMBL4589844)Show SMILES NCC1(CCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4/c19-18(20,21)15-14-13(5-8-23-16(14)25-24-15)11-3-1-4-12(9-11)17(10-22)6-2-7-17/h1,3-5,8-9H,2,6-7,10,22H2,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427382
(CHEMBL2326019)Show SMILES CC(C)C[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C19H24N6/c1-13(2)11-14-12-25(10-9-20-14)17-7-3-6-16(22-17)18-15-5-4-8-21-19(15)24-23-18/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23,24)/t14-/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
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (unknown origin) |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525599
(CHEMBL4461370)Show InChI InChI=1S/C17H20N4/c1-3-17(2,11-18)13-6-4-5-12(9-13)14-7-8-19-16-15(14)10-20-21-16/h4-10H,3,11,18H2,1-2H3,(H,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387330
(CHEMBL2046643)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r| Show InChI InChI=1S/C20H24F3N5O/c1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24/h3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26)/t13-/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
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525596
(CHEMBL4590477)Show SMILES Cc1cc(cc(c1)C1(CN)CCC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C19H19F3N4/c1-11-7-12(9-13(8-11)18(10-23)4-2-5-18)14-3-6-24-17-15(14)16(25-26-17)19(20,21)22/h3,6-9H,2,4-5,10,23H2,1H3,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387346
(CHEMBL2046640)Show SMILES CC(C)C[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C19H25N5O/c1-13(2)11-14-12-24(10-9-21-14)17-7-3-6-16(23-17)18(25)15-5-4-8-22-19(15)20/h3-8,13-14,21H,9-12H2,1-2H3,(H2,20,22)/t14-/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
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C eta type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PKC eta (unknown origin) |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427379
(CHEMBL2326003)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387343
(CHEMBL2046637)Show SMILES CC(C)[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427378
(CHEMBL2326004)Show SMILES CC(C)C[C@H]1CN(C[C@@H](C)N1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C20H25FN6/c1-12(2)9-14-11-27(10-13(3)23-14)17-7-6-16(21)19(24-17)18-15-5-4-8-22-20(15)26-25-18/h4-8,12-14,23H,9-11H2,1-3H3,(H,22,25,26)/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525593
(CHEMBL4522851)Show InChI InChI=1S/C18H22N4/c1-4-18(3,11-19)14-8-12(2)7-13(9-14)15-5-6-20-17-16(15)10-21-22-17/h5-10H,4,11,19H2,1-3H3,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427383
(CHEMBL2326018)Show SMILES CC(C)C[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C19H24N6/c1-13(2)11-14-12-25(10-9-20-14)17-7-3-6-16(22-17)18-15-5-4-8-21-19(15)24-23-18/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23,24)/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427381
(CHEMBL2326020)Show SMILES C1CN(C[C@H](N1)c1ccccc1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C21H20N6/c1-2-6-15(7-3-1)18-14-27(13-12-22-18)19-10-4-9-17(24-19)20-16-8-5-11-23-21(16)26-25-20/h1-11,18,22H,12-14H2,(H,23,25,26)/t18-/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 1/2
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of ROCK (unknown origin) using Myelin Basic Protein as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid s... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525583
(CHEMBL4461649)Show SMILES NCC1(COC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C17H15F3N4O/c18-17(19,20)14-13-12(4-5-22-15(13)24-23-14)10-2-1-3-11(6-10)16(7-21)8-25-9-16/h1-6H,7-9,21H2,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387348
(CHEMBL2046642)Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCN[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C21H21N5O/c22-21-16(8-5-11-24-21)20(27)17-9-4-10-19(25-17)26-13-12-23-18(14-26)15-6-2-1-3-7-15/h1-11,18,23H,12-14H2,(H2,22,24)/t18-/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
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50387350
(CHEMBL2046646)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(OC(F)F)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C20H25F2N5O2/c1-12(2)10-13-11-27(9-8-24-13)16-6-5-15(29-20(21)22)17(26-16)18(28)14-4-3-7-25-19(14)23/h3-7,12-13,20,24H,8-11H2,1-2H3,(H2,23,25)/t13-/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
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCtheta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525597
(CHEMBL4587816)Show SMILES Cc1cc(cc(c1)C1(CN)COC1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N4O/c1-10-4-11(6-12(5-10)17(7-22)8-26-9-17)13-2-3-23-16-14(13)15(24-25-16)18(19,20)21/h2-6H,7-9,22H2,1H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525601
(CHEMBL4435004)Show InChI InChI=1S/C18H20N4O/c19-12-18(5-8-23-9-6-18)14-3-1-2-13(10-14)15-4-7-20-17-16(15)11-21-22-17/h1-4,7,10-11H,5-6,8-9,12,19H2,(H,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525586
(CHEMBL4457150)Show SMILES NCC1(CCOCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)16-15-14(4-7-24-17(15)26-25-16)12-2-1-3-13(10-12)18(11-23)5-8-27-9-6-18/h1-4,7,10H,5-6,8-9,11,23H2,(H,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427380
(CHEMBL2326021)Show SMILES CC(C)C[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/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
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50427367
(CHEMBL2325998)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O |r| Show InChI InChI=1S/C20H25FN6O2/c1-11(2)20(3,29)15-10-27(8-7-22-15)19-14(28)9-13(21)17(24-19)16-12-5-4-6-23-18(12)26-25-16/h4-6,9,11,15,22,28-29H,7-8,10H2,1-3H3,(H,23,25,26)/t15-,20+/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
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50427365
(CHEMBL2326000)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO |r| Show InChI InChI=1S/C21H27FN6O2/c1-12(2)21(3,30)16-10-28(8-7-23-16)20-13(11-29)9-15(22)18(25-20)17-14-5-4-6-24-19(14)27-26-17/h4-6,9,12,16,23,29-30H,7-8,10-11H2,1-3H3,(H,24,26,27)/t16-,21+/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
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427372
(CHEMBL2326011)Show SMILES COC(C)(C(C)C)C1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 Show InChI InChI=1S/C21H27FN6O/c1-13(2)21(3,29-4)16-12-28(11-10-23-16)17-8-7-15(22)19(25-17)18-14-6-5-9-24-20(14)27-26-18/h5-9,13,16,23H,10-12H2,1-4H3,(H,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
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50387328
(CHEMBL2046649)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C25H29N5O/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28)/t19-/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
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCdelta |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50387328
(CHEMBL2046649)Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N |r| Show InChI InChI=1S/C25H29N5O/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28)/t19-/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
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd
Curated by ChEMBL
| Assay Description Inhibition of PKCalpha |
Bioorg Med Chem Lett 22: 4645-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65 |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length PKC delta (unknown origin) using ERMRPRKR- QGSVRRRV peptide as substrate measured after 15 mins in presence of ... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525590
(CHEMBL4541215)Show InChI InChI=1S/C16H18N4/c1-16(2,10-17)12-5-3-4-11(8-12)13-6-7-18-15-14(13)9-19-20-15/h3-9H,10,17H2,1-2H3,(H,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427385
(CHEMBL2326016)Show SMILES CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/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
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50525584
(CHEMBL4453941)Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) using polyE4Y peptide as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid scinti... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525594
(CHEMBL4567363)Show InChI InChI=1S/C19H24N4/c1-4-13-8-14(10-15(9-13)19(3,5-2)12-20)16-6-7-21-18-17(16)11-22-23-18/h6-11H,4-5,12,20H2,1-3H3,(H,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50525588
(CHEMBL4539521)Show InChI InChI=1S/C15H13N5/c1-15(2,9-16)13-5-3-4-12(19-13)10-6-7-17-14-11(10)8-18-20-14/h3-8H,1-2H3,(H,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 6... |
ACS Med Chem Lett 10: 1134-1139 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00134 BindingDB Entry DOI: 10.7270/Q2NC64NR |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50427384
(CHEMBL2326017)Show SMILES CC(C)[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r| Show InChI InChI=1S/C18H22N6/c1-12(2)15-11-24(10-9-19-15)16-7-3-6-14(21-16)17-13-5-4-8-20-18(13)23-22-17/h3-8,12,15,19H,9-11H2,1-2H3,(H,20,22,23)/t15-/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
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis... |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50427363
(CHEMBL2326002)Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PKC beta1 (unknown origin) |
J Med Chem 56: 1799-810 (2013)
Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2 |
More data for this Ligand-Target Pair | |