Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50034127 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 delta type
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | 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 | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50357492
(CHEMBL1914609)Show SMILES CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC |w:10.10,15.15| Show InChI InChI=1S/C25H28N2O4/c1-4-5-14-31-23-13-9-19(16-25(23)30-3)7-11-21-17-20(26-27-21)10-6-18-8-12-22(28)24(15-18)29-2/h6-13,15-17,28H,4-5,14H2,1-3H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.16E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | 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 | n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50357493
(CHEMBL1914610)Show SMILES CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC Show InChI InChI=1S/C29H35NO5/c1-5-7-17-33-26-15-11-22(19-28(26)31-3)9-13-24-21-25(35-30-24)14-10-23-12-16-27(29(20-23)32-4)34-18-8-6-2/h9-16,19-21H,5-8,17-18H2,1-4H3/b13-9+,14-10+ | 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 | n/a | n/a | 2.52E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | 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 | n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50357493
(CHEMBL1914610)Show SMILES CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC Show InChI InChI=1S/C29H35NO5/c1-5-7-17-33-26-15-11-22(19-28(26)31-3)9-13-24-21-25(35-30-24)14-10-23-12-16-27(29(20-23)32-4)34-18-8-6-2/h9-16,19-21H,5-8,17-18H2,1-4H3/b13-9+,14-10+ | 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 | n/a | n/a | 7.14E+3 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | 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 | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50357493
(CHEMBL1914610)Show SMILES CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC Show InChI InChI=1S/C29H35NO5/c1-5-7-17-33-26-15-11-22(19-28(26)31-3)9-13-24-21-25(35-30-24)14-10-23-12-16-27(29(20-23)32-4)34-18-8-6-2/h9-16,19-21H,5-8,17-18H2,1-4H3/b13-9+,14-10+ | 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 | n/a | n/a | 2.34E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50163748
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+ | 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 | n/a | n/a | 7.25E+3 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50357492
(CHEMBL1914609)Show SMILES CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC |w:10.10,15.15| Show InChI InChI=1S/C25H28N2O4/c1-4-5-14-31-23-13-9-19(16-25(23)30-3)7-11-21-17-20(26-27-21)10-6-18-8-12-22(28)24(15-18)29-2/h6-13,15-17,28H,4-5,14H2,1-3H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50163745
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+ | 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 | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50357492
(CHEMBL1914609)Show SMILES CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC |w:10.10,15.15| Show InChI InChI=1S/C25H28N2O4/c1-4-5-14-31-23-13-9-19(16-25(23)30-3)7-11-21-17-20(26-27-21)10-6-18-8-12-22(28)24(15-18)29-2/h6-13,15-17,28H,4-5,14H2,1-3H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a |
University of Houston
Curated by ChEMBL
| Assay Description Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis |
Bioorg Med Chem 19: 6196-202 (2011)
Article DOI: 10.1016/j.bmc.2011.09.011 BindingDB Entry DOI: 10.7270/Q2BK1CST |
More data for this Ligand-Target Pair | |