Found 3001 hits with Last Name = 'rommel' and Initial = 'c' 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 delta isoform
(Homo sapiens (Human)) | BDBM50323732
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323728
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323731
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kalpha |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110alpha |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323732
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110gamma |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315574
(US10172858, Table 2.70 | US9828378, # 70)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-4-2-12(3-5-27)28-20-16(19(22)23-9-24-20)18(26-28)15-7-11-6-13(30)8-14(21)17(11)25-15/h6-9,12,25,30H,2-5H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315573
(US10172858, Table 2.69 | US9828378, # 69)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-6-4-11(5-7-27)28-20-16(19(22)23-9-24-20)18(26-28)14-8-12-13(21)2-3-15(30)17(12)25-14/h2-3,8-9,11,25,30H,4-7H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315572
(US10172858, Table 2.68 | US9828378, # 68)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H17ClN6O2/c19-12-7-11(26)5-9-6-13(23-15(9)12)16-14-17(20)21-8-22-18(14)25(24-16)10-1-3-27-4-2-10/h5-8,10,23,26H,1-4H2,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315565
(US10172858, Table 2.62 | US9828378, # 62)Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-14-16(12-8-10-2-1-3-13(25)15(10)22-12)23-24(18(14)21-9-20-17)11-4-6-26-7-5-11/h1-3,8-9,11,22,25H,4-7H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315566
(US10172858, Table 2.63 | US9828378, # 63)Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315547
(US10172858, Table 2.42 | US9828378, # 42)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H18N6O2/c19-17-15-16(14-8-10-7-12(25)1-2-13(10)22-14)23-24(18(15)21-9-20-17)11-3-5-26-6-4-11/h1-2,7-9,11,22,25H,3-6H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315526
(US10172858, Table 2.22 | US9828378, # 22)Show SMILES CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(21-10)3-4-11(24)13(8)17/h3-7,21,24H,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315520
(US10172858, Table 2.16 | US9828378, # 16)Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15FN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315519
(US10172858, Table 2.15 | US9828378, # 15)Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315515
(US10172858, Table 2.11 | US9828378, # 11)Show SMILES CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-12(15(17)18-7-19-16)14(21-22)10-6-9-4-3-5-11(23)13(9)20-10/h3-8,20,23H,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323730
(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(31.57,-15.15,;31.56,-13.61,;32.89,-12.84,;32.88,-11.3,;31.54,-10.53,;30.21,-11.32,;30.22,-12.85,;28.9,-13.62,;28.91,-15.18,;30.25,-15.94,;30.25,-17.49,;29.01,-18.4,;29.49,-19.86,;28.6,-21.11,;27.7,-22.36,;26.81,-23.6,;25.48,-23.68,;31.03,-19.85,;32.06,-20.99,;31.59,-22.46,;33.56,-20.67,;34.03,-19.2,;33,-18.06,;31.51,-18.39,;27.57,-15.96,;26.23,-15.18,;24.89,-15.96,;23.57,-15.19,;23.57,-13.64,;24.89,-12.87,;24.89,-11.33,;26.23,-13.64,;27.56,-12.87,;27.55,-11.33,)| Show InChI InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323729
(2-((4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(16.77,-15.65,;16.76,-14.1,;18.09,-13.33,;18.08,-11.78,;16.73,-11.01,;15.41,-11.8,;15.41,-13.33,;14.09,-14.11,;14.1,-15.66,;15.44,-16.43,;15.44,-17.98,;14.2,-18.89,;14.68,-20.37,;13.89,-21.68,;14.64,-23.01,;13.86,-24.33,;12.31,-24.31,;11.52,-25.62,;11.57,-22.96,;10.03,-22.93,;12.36,-21.64,;16.22,-20.35,;17.26,-21.49,;16.78,-22.96,;18.76,-21.17,;19.22,-19.7,;18.19,-18.56,;16.7,-18.89,;12.76,-16.44,;11.42,-15.67,;10.08,-16.46,;8.75,-15.68,;8.75,-14.13,;10.08,-13.36,;10.07,-11.82,;11.42,-14.12,;12.75,-13.35,;12.74,-11.81,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50323732
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110beta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315544
(US10172858, Table 2.39 | US9828378, # 39)Show SMILES CC(C)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(17)3-4-11(24)13(8)21-10/h3-7,21,24H,1-2H3,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315568
(US10172858, Table 2.65 | US9828378, # 65)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kbeta |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315541
(US10172858, Table 2.36 | US9828378, # 36)Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCCC1 Show InChI InChI=1S/C18H18N6O/c19-17-14-16(12-8-10-4-3-7-13(25)15(10)22-12)23-24(11-5-1-2-6-11)18(14)21-9-20-17/h3-4,7-9,11,22,25H,1-2,5-6H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315516
(US10172858, Table 2.12 | US9828378, # 12)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCC1 Show InChI InChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315531
(US10172858, Table 2.26 | US9828378, # 26)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCCC1 Show InChI InChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315552
(US10172858, Table 2.49 | US9828378, # 49)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1 |(-2.36,3.11,;-2.36,1.57,;-3.69,.8,;-3.69,-.74,;-2.36,-1.51,;-1.02,-.74,;.44,-1.22,;1.35,.03,;.44,1.27,;.84,2.76,;-.06,4,;.84,5.25,;.52,6.76,;1.67,7.79,;1.27,9.27,;3.13,7.31,;3.45,5.8,;2.31,4.77,;2.31,3.23,;-1.02,.8,;.84,-2.71,;.07,-4.04,;1.4,-4.81,;2.17,-3.48,;1.8,-6.3,;.71,-7.39,;1.11,-8.88,;2.6,-9.27,;3.69,-8.19,;3.29,-6.7,)| Show InChI InChI=1S/C21H23N7O2/c22-20-18-19(17-8-12-7-15(29)1-2-16(12)25-17)26-28(21(18)24-11-23-20)14-9-13(10-14)27-3-5-30-6-4-27/h1-2,7-8,11,13-14,25,29H,3-6,9-10H2,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315546
(US10172858, Table 2.41 | US9828378, # 41)Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C22H23N7O2/c23-20-17-19(15-10-13-2-1-3-16(30)18(13)26-15)27-29(21(17)25-11-24-20)14-6-8-28(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,26,30H,4-9H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110alpha |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50189760
(5-[5-(2,4-dihydroxyphenyl)furan-2-ylmethylene]thia...)Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50189741
(5-[5-(2,5-dihydroxyphenyl)furan-2-ylmethylene]thia...)Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Serono Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kgamma |
J Med Chem 49: 3857-71 (2006)
Article DOI: 10.1021/jm0601598 BindingDB Entry DOI: 10.7270/Q2DZ07X0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323729
(2-((4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(16.77,-15.65,;16.76,-14.1,;18.09,-13.33,;18.08,-11.78,;16.73,-11.01,;15.41,-11.8,;15.41,-13.33,;14.09,-14.11,;14.1,-15.66,;15.44,-16.43,;15.44,-17.98,;14.2,-18.89,;14.68,-20.37,;13.89,-21.68,;14.64,-23.01,;13.86,-24.33,;12.31,-24.31,;11.52,-25.62,;11.57,-22.96,;10.03,-22.93,;12.36,-21.64,;16.22,-20.35,;17.26,-21.49,;16.78,-22.96,;18.76,-21.17,;19.22,-19.7,;18.19,-18.56,;16.7,-18.89,;12.76,-16.44,;11.42,-15.67,;10.08,-16.46,;8.75,-15.68,;8.75,-14.13,;10.08,-13.36,;10.07,-11.82,;11.42,-14.12,;12.75,-13.35,;12.74,-11.81,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110gamma |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323734
(3-((4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidi...)Show InChI InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110delta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50323731
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical Research Council-Laboratory of Molecular Biology
Curated by ChEMBL
| Assay Description Inhibition of p110beta |
Nat Chem Biol 6: 117-24 (2010)
Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM315572
(US10172858, Table 2.68 | US9828378, # 68)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1 Show InChI InChI=1S/C18H17ClN6O2/c19-12-7-11(26)5-9-6-13(23-15(9)12)16-14-17(20)21-8-22-18(14)25(24-16)10-1-3-27-4-2-10/h5-8,10,23,26H,1-4H2,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM315574
(US10172858, Table 2.70 | US9828378, # 70)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-4-2-12(3-5-27)28-20-16(19(22)23-9-24-20)18(26-28)15-7-11-6-13(30)8-14(21)17(11)25-15/h6-9,12,25,30H,2-5H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315535
(US10172858, Table 2.30 | US9828378, # 30)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-9-12-8-14(29)2-3-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM315568
(US10172858, Table 2.65 | US9828378, # 65)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM315568
(US10172858, Table 2.65 | US9828378, # 65)Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315567
(US10172858, Table 2.64 | US9828378, # 64)Show SMILES CC(C)N1CCC(CC1)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N7O/c1-12(2)27-8-6-14(7-9-27)28-21-17(20(22)23-11-24-21)19(26-28)15-10-13-4-3-5-16(29)18(13)25-15/h3-5,10-12,14,25,29H,6-9H2,1-2H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315564
(US10172858, Table 2.61 | US9828378, # 61)Show SMILES COc1ccc(Cl)c2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H19ClN6O2/c1-27-14-3-2-12(20)11-8-13(24-16(11)14)17-15-18(21)22-9-23-19(15)26(25-17)10-4-6-28-7-5-10/h2-3,8-10,24H,4-7H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM315566
(US10172858, Table 2.63 | US9828378, # 63)Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM315566
(US10172858, Table 2.63 | US9828378, # 63)Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315560
(US10172858, Table 2.57 | US9828378, # 57)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC(CC1)N1CCOCC1 |w:23.30,(-2.24,3.7,;-2.24,2.16,;-3.57,1.39,;-3.57,-.15,;-2.24,-.92,;-.9,-.15,;.56,-.63,;1.47,.62,;.56,1.86,;.96,3.35,;.06,4.6,;.96,5.84,;.64,7.35,;1.79,8.38,;1.39,9.87,;3.25,7.9,;3.57,6.4,;2.43,5.37,;2.43,3.83,;-.9,1.39,;.56,-2.17,;-.77,-2.94,;-.77,-4.48,;.56,-5.25,;1.9,-4.48,;1.9,-2.94,;.56,-6.79,;-.77,-7.56,;-.77,-9.1,;.56,-9.87,;1.9,-9.1,;1.9,-7.56,)| Show InChI InChI=1S/C23H27N7O2/c24-22-20-21(19-12-14-11-17(31)5-6-18(14)27-19)28-30(23(20)26-13-25-22)16-3-1-15(2-4-16)29-7-9-32-10-8-29/h5-6,11-13,15-16,27,31H,1-4,7-10H2,(H2,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315557
(US10172858, Table 2.54 | US9828378, # 54)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(O)C1 |(-2.24,1.62,;-2.24,.08,;-3.57,-.69,;-3.57,-2.23,;-2.24,-3,;-.9,-2.23,;.56,-2.71,;1.47,-1.46,;.56,-.22,;.96,1.27,;.06,2.52,;.96,3.76,;.64,5.27,;1.79,6.3,;1.39,7.79,;3.25,5.82,;3.57,4.32,;2.43,3.29,;2.43,1.75,;-.9,-.69,;.96,-4.2,;.19,-5.53,;1.52,-6.3,;1.92,-7.79,;2.29,-4.97,)| Show InChI InChI=1S/C17H16N6O2/c18-16-14-15(13-4-8-3-10(24)1-2-12(8)21-13)22-23(9-5-11(25)6-9)17(14)20-7-19-16/h1-4,7,9,11,21,24-25H,5-6H2,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315536
(US10172858, Table 2.31 | US9828378, # 31)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C22H23N7O2/c23-20-18-19(17-10-13-9-15(30)3-4-16(13)26-17)27-29(21(18)25-11-24-20)14-5-7-28(8-6-14)22(31)12-1-2-12/h3-4,9-12,14,26,30H,1-2,5-8H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM315532
(US10172858, Table 2.27 | US9828378, # 27)Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC1 Show InChI InChI=1S/C17H16N6O/c18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h4-8,10,21,24H,1-3H2,(H2,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
INTELLIKINE LLC
US Patent
| Assay Description This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ... |
US Patent US10172858 (2019)
BindingDB Entry DOI: 10.7270/Q2736T01 |
More data for this Ligand-Target Pair | |