Found 7 hits of 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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50182218
(CHEMBL382875 | [methyl-(7-nitro-benzo[1,2,5]oxadia...)Show SMILES COCC1OC(=O)c2coc3c2C1(C)C1=C(C2CCC(=O)C2(C)CC1OC(=O)CN(C)c1ccc([N+]([O-])=O)c2n[o+][n-]c12)C3=O |t:16| Show InChI InChI=1S/C30H28N4O11/c1-29-9-17(43-20(36)10-33(3)15-6-7-16(34(39)40)25-24(15)31-45-32-25)23-21(14(29)5-8-18(29)35)26(37)27-22-13(11-42-27)28(38)44-19(12-41-4)30(22,23)2/h6-7,11,14,17,19H,5,8-10,12H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | 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
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | BDBM50182213
((7-dimethylamino-2-oxo-2H-chromen-4-yl)-acetic aci...)Show SMILES CN(C)c1ccc2c(CC(=O)O[C@@H]3CC(=O)c4coc5c4[C@@]3(C)c3ccc4C(=O)CCc4c3C5=O)cc(=O)oc2c1 Show InChI InChI=1S/C32H25NO8/c1-32-21-8-6-18-19(7-9-22(18)34)28(21)30(38)31-29(32)20(14-39-31)23(35)13-25(32)41-27(37)11-15-10-26(36)40-24-12-16(33(2)3)4-5-17(15)24/h4-6,8,10,12,14,25H,7,9,11,13H2,1-3H3/t25-,32+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | BDBM50182215
(CHEMBL205591 | [methyl-(7-nitro-benzo[1,2,5]oxadia...)Show SMILES CN(CC(=O)O[C@@H]1CC(=O)c2coc3c2[C@@]1(C)c1ccc2C(=O)CCc2c1C3=O)c1ccc([N+]([O-])=O)c2n[o+][n-]c12 Show InChI InChI=1S/C28H20N4O9/c1-28-15-5-3-12-13(4-8-18(12)33)22(15)26(36)27-23(28)14(11-39-27)19(34)9-20(28)40-21(35)10-31(2)16-6-7-17(32(37)38)25-24(16)29-41-30-25/h3,5-7,11,20H,4,8-10H2,1-2H3/t20-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | BDBM50182219
((7-dimethylamino-2-oxo-2H-chromen-4-yl)-acetic aci...)Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CCC(=O)[C@@]2(C)C[C@H]1OC(=O)Cc1cc(=O)oc2cc(ccc12)N(C)C)C3=O |t:16| Show InChI InChI=1S/C34H33NO10/c1-33-13-22(44-26(38)11-16-10-25(37)43-21-12-17(35(3)4)6-7-18(16)21)29-27(20(33)8-9-23(33)36)30(39)31-28-19(14-42-31)32(40)45-24(15-41-5)34(28,29)2/h6-7,10,12,14,20,22,24H,8-9,11,13,15H2,1-5H3/t20?,22-,24-,33+,34+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.1 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | BDBM50182214
(CHEMBL381040 | [methyl-(7-nitro-benzo[1,2,5]oxadia...)Show SMILES COCC1OC(=O)c2coc3c2C1(C)C1=C(C2CCC(OC(=O)CN(C)c4ccc([N+]([O-])=O)c5n[o+][n-]c45)C2(C)CC1OC(C)=O)C3=O |t:16| Show InChI InChI=1S/C32H32N4O12/c1-14(37)45-19-10-31(2)16(23-25(19)32(3)21(13-43-5)47-30(40)15-12-44-29(24(15)32)28(23)39)6-9-20(31)46-22(38)11-35(4)17-7-8-18(36(41)42)27-26(17)33-48-34-27/h7-8,12,16,19-21H,6,9-11,13H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
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)) | BDBM50182217
((7-dimethylamino-2-oxo-2H-chromen-4-yl)-acetic aci...)Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CC[C@H](OC(=O)Cc4cc(=O)oc5cc(ccc45)N(C)C)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |t:16| Show InChI InChI=1S/C36H37NO11/c1-17(38)45-24-14-35(2)22(29-31(24)36(3)26(16-43-6)48-34(42)21-15-44-33(30(21)36)32(29)41)9-10-25(35)47-28(40)12-18-11-27(39)46-23-13-19(37(4)5)7-8-20(18)23/h7-8,11,13,15,22,24-26H,9-10,12,14,16H2,1-6H3/t22?,24-,25+,26-,35+,36+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 695 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York-ESF
Curated by ChEMBL
| Assay Description Inhibition of PI3 kinase p110alpha/p85alpha complex |
Bioorg Med Chem Lett 16: 2518-21 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.091 BindingDB Entry DOI: 10.7270/Q2XD119Z |
More data for this Ligand-Target Pair | |