Found 3612 hits with Last Name = 'jimenez' and Initial = 'j' 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 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)) | 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 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)) | 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)) | 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 | |
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)) | 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)) | 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 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 | |
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)) | 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 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)) | 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)) | 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)) | 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)) | 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 | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50341530
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
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 FMS |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
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 | |
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 | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50341521
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | 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 FMS |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
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 | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50341519
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7 | 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 Itk after 40 mins by radiometric phosphate incorporation assay |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
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 | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50341521
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7 | 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 Itk after 40 mins by radiometric phosphate incorporation assay |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50341542
(3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8 | 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 FMS |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW |
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 | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411940
(US10392391, Compound I-O-86 | US10787452, Compound...)Show SMILES Nc1nn2cc(CC#N)cnc2c1C(=O)Nc1cnccc1O[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H18N8O2/c19-4-1-11-7-23-17-15(16(20)25-26(17)10-11)18(27)24-13-9-22-6-3-14(13)28-12-2-5-21-8-12/h3,6-7,9-10,12,21H,1-2,5,8H2,(H2,20,25)(H,24,27)/t12-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM412027
(US10392391, Compound I-C-81 | US10787452, Compound...)Show SMILES COc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1-c1cncn1C |(5.89,2.19,;4.55,1.42,;3.22,2.19,;3.22,3.73,;1.89,4.5,;.55,3.73,;.55,2.19,;-.78,1.42,;-2.12,2.19,;-2.12,3.73,;-3.45,1.42,;-4.86,2.05,;-5.18,3.56,;-5.89,.9,;-5.12,-.43,;-5.59,-1.89,;-4.56,-3.04,;-5.04,-4.5,;-3.06,-2.72,;-2.58,-1.25,;-3.61,-.11,;1.89,1.42,;1.89,-.12,;.64,-1.02,;1.12,-2.49,;2.66,-2.49,;3.13,-1.02,;4.62,-.62,)| Show InChI InChI=1S/C17H15FN8O2/c1-25-8-21-5-11(25)13-10(4-20-6-12(13)28-2)23-17(27)14-15(19)24-26-7-9(18)3-22-16(14)26/h3-8H,1-2H3,(H2,19,24)(H,23,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM412044
(US10392391, Compound I-G-14 | US10392391, Compound...)Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CC2(COC2)C1 Show InChI InChI=1S/C23H24F2N8O3/c24-14-5-28-20-17(19(26)30-33(20)8-14)21(34)29-16-7-27-6-15(25)18(16)31-3-1-13(2-4-31)22(35)32-9-23(10-32)11-36-12-23/h5-8,13H,1-4,9-12H2,(H2,26,30)(H,29,34) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM412094
(US10392391, Compound I-G-67 | US10392391, Compound...)Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CC(F)C1 Show InChI InChI=1S/C21H21F3N8O2/c22-12-5-27-19-16(18(25)29-32(19)10-12)20(33)28-15-7-26-6-14(24)17(15)30-3-1-11(2-4-30)21(34)31-8-13(23)9-31/h5-7,10-11,13H,1-4,8-9H2,(H2,25,29)(H,28,33) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM412095
(US10392391, Compound I-G-68 | US10787452, Compound...)Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCC(CC1)N1CCC1 Show InChI InChI=1S/C26H31F2N9O2/c27-17-12-31-24-21(23(29)33-37(24)15-17)25(38)32-20-14-30-13-19(28)22(20)35-8-2-16(3-9-35)26(39)36-10-4-18(5-11-36)34-6-1-7-34/h12-16,18H,1-11H2,(H2,29,33)(H,32,38) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411573
(2-amino-6-fluoro-N-(4-(4-(oxetan-3-yl)piperazin-1-...)Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411584
(US10392391, Compound I-N-13 | US10787452, Compound...)Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411629
(US10392391, Compound I-N-58 | US10787452, Compound...)Show SMILES Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21ClN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2639SW3 |
More data for this Ligand-Target Pair | |