Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50034651 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kdelta HTRF assay |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha by HTRF assay |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kbeta HTRF assay |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kgamma HTRF assay |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50365736
(CHEMBL1956189)Show SMILES CCn1\c(=C\c2scc(C)[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O Show InChI InChI=1S/C20H22N3OS3/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20/h7-12H,5-6H2,1-4H3/q+1/b20-18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of telomerase |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50365735
(CHEMBL33859 | MKT-077 | US20230414581, Compound 39)Show SMILES CCn1\c(=C\c2cccc[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O Show InChI InChI=1S/C21H22N3OS2/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21/h6-14H,4-5H2,1-3H3/q+1/b21-19+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of telomerase |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50203126
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics
Curated by ChEMBL
| Assay Description Inhibition of telomerase |
Bioorg Med Chem 20: 1947-51 (2012)
Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM |
More data for this Ligand-Target Pair | |