BDBM50208185 CHEMBL3906055
SMILES: Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N
InChI Key: InChIKey=GNILGFUJOZHSPR-INIZCTEOSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50208185 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)) | BDBM50208185
(CHEMBL3906055)Show SMILES Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C21H16F2N8O/c22-21(23)9-16(29(11-21)18-14(10-24)17(25)26-12-27-18)19-28-30-8-4-7-15(30)20(32)31(19)13-5-2-1-3-6-13/h1-8,12,16H,9,11H2,(H2,25,26,27)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ... |
ACS Med Chem Lett 8: 118-123 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF |
More data for this Ligand-Target Pair | |
Phosphoinositide 3-Kinase (PI3K), delta
(Homo sapiens (Human)) | BDBM50208185
(CHEMBL3906055)Show SMILES Nc1ncnc(N2CC(F)(F)C[C@H]2c2nn3cccc3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C21H16F2N8O/c22-21(23)9-16(29(11-21)18-14(10-24)17(25)26-12-27-18)19-28-30-8-4-7-15(30)20(32)31(19)13-5-2-1-3-6-13/h1-8,12,16H,9,11H2,(H2,25,26,27)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P... |
ACS Med Chem Lett 8: 118-123 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF |
More data for this Ligand-Target Pair | |