Found 4 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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 gamma isoform
(959/959 = 100%)† (Homo sapiens (Human)) | BDBM50387545
(CHEMBL2059907)Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay |
Bioorg Med Chem Lett 22: 4546-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.121 BindingDB Entry DOI: 10.7270/Q2J38TMN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(959/959 = 100%)† (Homo sapiens (Human)) | BDBM50387545
(CHEMBL2059907)Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay |
Bioorg Med Chem Lett 22: 5257-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(959/959 = 100%)† (Homo sapiens (Human)) | BDBM50387545
(CHEMBL2059907)Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma assessed as inhibition of fMLP-induced neutrophil migration assay by cell based assay |
Bioorg Med Chem Lett 22: 5257-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(959/959 = 100%)† (Homo sapiens (Human)) | BDBM50387545
(CHEMBL2059907)Show SMILES CC(=O)Nc1nc2ccc(cn2n1)-c1cncc(c1)S(C)(=O)=O Show InChI InChI=1S/C14H13N5O3S/c1-9(20)16-14-17-13-4-3-10(8-19(13)18-14)11-5-12(7-15-6-11)23(2,21)22/h3-8H,1-2H3,(H,16,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | >6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma assessed as inhibition of C5a-induced AKT phosphorylation at Ser473 by cell based assay |
Bioorg Med Chem Lett 22: 5257-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.049 BindingDB Entry DOI: 10.7270/Q2CR5VFP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |