BDBM172467 US9090628, 110
SMILES: CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)C
InChI Key: InChIKey=ORAFSXNAIORUHG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 172467 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 delta isoform
(Homo sapiens (Human)) | BDBM172467
(US9090628, 110)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C25H33N7O2/c1-17(2)32-23(26-16-27-32)20-15-30-12-13-34-21-7-6-18(14-19(21)22(30)28-20)24(33)29-8-10-31(11-9-29)25(3,4)5/h6-7,14-17H,8-13H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kdelta (unknown origin) |
ACS Med Chem Lett 8: 936-940 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00170
BindingDB Entry DOI: 10.7270/Q2CV4M7R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM172467
(US9090628, 110)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3ccc(cc3-c2n1)C(=O)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C25H33N7O2/c1-17(2)32-23(26-16-27-32)20-15-30-12-13-34-21-7-6-18(14-19(21)22(30)28-20)24(33)29-8-10-31(11-9-29)25(3,4)5/h6-7,14-17H,8-13H2,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.919 | n/a | n/a | n/a | n/a | 7.5 | n/a |
GENENTECH, INC.
US Patent
| Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat... |
US Patent US9090628 (2015)
BindingDB Entry DOI: 10.7270/Q26Q1W0V |
More data for this
Ligand-Target Pair | |
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