BDBM50537740 CHEMBL4649678
SMILES: C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1
InChI Key: InChIKey=GLCGTMKCHJYJFD-GFCCVEGCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50537740 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)) | BDBM50537740
![PNG](/data/jpeg/tenK5053/BindingDB_50537740.png) (CHEMBL4649678 | US11179389, Compound 1-13)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-15(7-19)20-9-16(22-17)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibitory activity against cytosolic c-Src |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PIK3CD)(14-604)
(Homo sapiens (Human)) | BDBM50537740
![PNG](/data/jpeg/tenK5053/BindingDB_50537740.png) (CHEMBL4649678 | US11179389, Compound 1-13)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-15(7-19)20-9-16(22-17)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1 | GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphoinositide 3-Kinase (PI3K), delta
(Homo sapiens (Human)) | BDBM50537740
![PNG](/data/jpeg/tenK5053/BindingDB_50537740.png) (CHEMBL4649678 | US11179389, Compound 1-13)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(cnc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-15(7-19)20-9-16(22-17)14-8-21-23(2)11-14/h8-9,11-13H,3-6,10H2,1-2H3/t12-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cell... |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |