BDBM50537739 CHEMBL4648622
SMILES: C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1
InChI Key: InChIKey=HVLNEBORDHWAQK-GFCCVEGCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50537739 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)) | BDBM50537739
(CHEMBL4648622)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)17(26)13-3-4-13)18-20-8-14(7-19)16(22-18)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 | 764 | 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 5-4
(CHEMBL4648622)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)17(26)13-3-4-13)18-20-8-14(7-19)16(22-18)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 | 21 | 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)) | BDBM50537739
(CHEMBL4648622)Show SMILES C[C@@H]1CN(CCN1C(=O)C1CC1)c1ncc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C18H21N7O/c1-12-10-24(5-6-25(12)17(26)13-3-4-13)18-20-8-14(7-19)16(22-18)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 | 21 | 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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