Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50045038 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 alpha isoform
(Homo sapiens (Human)) | BDBM50042923
![PNG](/data/jpeg/tenK5004/BindingDB_50042923.png) (CHEMBL3354566)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25045
![PNG](/data/jpeg/tenK2/BindingDB_25045.png) (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM81368
![PNG](/data/jpeg/tenK8/BindingDB_81368.png) (PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50042925
![PNG](/data/jpeg/tenK5004/BindingDB_50042925.png) (CHEMBL3218571)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50042922
![PNG](/data/jpeg/tenK5004/BindingDB_50042922.png) (CHEMBL3218581)Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM12915
![PNG](/data/jpeg/tenK1/BindingDB_12915.png) (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay |
ACS Med Chem Lett 6: 3-6 (2015)
Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR |
More data for this Ligand-Target Pair | |