Found 9 hits for monomerid = 50533781 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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 alpha isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 462 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lu... |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lum... |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR... |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
1,3-beta-glucan synthase component GLS2
(Saccharomyces cerevisiae) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from recombinant human ERG transfected in HEK293 cell membranes after 60 mins by scintillation counting |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
PI3K p110 delta/p85 alpha
(Mus musculus (Mouse)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as reduction in anti-IgM induced CD86 expression preincubated for 1 hr followed by anti-IgM ... |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR... |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50533781
(CHEMBL4460621)Show SMILES COc1ccc(cn1)-c1ccc2ncnc(-c3cncc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H24N6O2/c1-30-7-9-31(10-8-30)25(32)20-11-19(13-26-14-20)24-21-12-17(3-5-22(21)28-16-29-24)18-4-6-23(33-2)27-15-18/h3-6,11-16H,7-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay |
ACS Med Chem Lett 7: 762-7 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00119 |
More data for this Ligand-Target Pair | |