BDBM50537728 CHEMBL4646601
SMILES: [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)NCC)C2
InChI Key: InChIKey=CCUFTWMGUUIZJE-KBPBESRZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50537728 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)) | US11230547, Compound 2-4
(CHEMBL4646601)Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)NCC)C2 |r| Show InChI InChI=1S/C17H20N8O/c1-3-19-17(26)25-10-13-4-14(25)9-24(13)16-11(5-18)6-20-15(22-16)12-7-21-23(2)8-12/h6-8,13-14H,3-4,9-10H2,1-2H3,(H,19,26)/t13-,14-/m0/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 | 2.20E+3 | 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)) | BDBM50537728
(CHEMBL4646601)Show SMILES [H][C@]12CN(c3nc(ncc3C#N)-c3cnn(C)c3)[C@]([H])(CN1C(=O)NCC)C2 |r| Show InChI InChI=1S/C17H20N8O/c1-3-19-17(26)25-10-13-4-14(25)9-24(13)16-11(5-18)6-20-15(22-16)12-7-21-23(2)8-12/h6-8,13-14H,3-4,9-10H2,1-2H3,(H,19,26)/t13-,14-/m0/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 | 2.19E+3 | 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 | |
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