Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50040450 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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assay |
Bioorg Med Chem Lett 22: 6919-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.015 BindingDB Entry DOI: 10.7270/Q2MK6F0Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50394409
(CHEMBL2158157)Show InChI InChI=1S/C12H12O4/c1-12-3-2-7(13)6-5-16-11(10(6)12)8(14)4-9(12)15/h5,9,15H,2-4H2,1H3/t9-,12+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assay |
Bioorg Med Chem Lett 22: 6919-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.015 BindingDB Entry DOI: 10.7270/Q2MK6F0Q |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50394408
(CHEMBL2158158)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C(=O)C1C(=CNCC=C)C(=O)CC[C@]31C |r,w:17.19| Show InChI InChI=1S/C23H29NO4/c1-4-11-24-12-13-16(25)8-10-23(3)15-7-9-22(2)14(5-6-17(22)26)18(15)20(27)21(28)19(13)23/h4,12,14-15,18-19,24H,1,5-11H2,2-3H3/t14-,15-,18-,19?,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assay |
Bioorg Med Chem Lett 22: 6919-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.015 BindingDB Entry DOI: 10.7270/Q2MK6F0Q |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50394410
(CHEMBL2158156)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)c1occ2c1[C@]3(C)CCC2=O |r| Show InChI InChI=1S/C20H22O4/c1-19-7-5-12-15(11(19)3-4-14(19)22)17(23)18-16-10(9-24-18)13(21)6-8-20(12,16)2/h9,11-12,15H,3-8H2,1-2H3/t11-,12-,15-,19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assay |
Bioorg Med Chem Lett 22: 6919-22 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.015 BindingDB Entry DOI: 10.7270/Q2MK6F0Q |
More data for this Ligand-Target Pair | |