BDBM50537734 CHEMBL4642225
SMILES: C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1
InChI Key: InChIKey=RIECHNBHNSMPHW-GFCCVEGCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50537734 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 |
Phosphoinositide 3-Kinase (PI3K), delta
(Homo sapiens (Human)) | BDBM50537734
(CHEMBL4642225)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-14(7-19)8-20-16(22-17)15-9-21-23(2)11-15/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
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 108 | 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
(Homo sapiens (Human)) | US11230547, Compound 4-1
(CHEMBL4642225)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-14(7-19)8-20-16(22-17)15-9-21-23(2)11-15/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
| PC cid PC sid UniChem
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50537734
(CHEMBL4642225)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1nc(ncc1C#N)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)18(26)13-3-4-13)17-14(7-19)8-20-16(22-17)15-9-21-23(2)11-15/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
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of the fibroblast growth factor receptor (FGFR1) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | |