Found 239 hits of kd data for polymerid = 2109,9133 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)) | BDBM50506315
(CHEMBL4579923)Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r| Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50506323
(CHEMBL4556087)Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 Show InChI InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay |
J Med Chem 63: 638-655 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01585 BindingDB Entry DOI: 10.7270/Q2F76GVB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | 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 | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
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 | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50240973
(CHEMBL4102855)Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22) | 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 | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50543037
(CHEMBL4638471)Show SMILES COc1ncc2cc1NS(=O)(=O)CCN(C)Cc1ccc3OCCN2c3c1 Show InChI InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
GSK Medicines Research Centre
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta (unknown origin) by SPR based van't Hoff analysis |
ACS Med Chem Lett 11: 1386-1391 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00061 BindingDB Entry DOI: 10.7270/Q2988BKZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50468033
(CHEMBL4293970)Show SMILES CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23 |c:9| Show InChI InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta after 1 hr by KINOMEscan assay |
J Med Chem 61: 10463-10472 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00975 BindingDB Entry DOI: 10.7270/Q24F1TD1 |
More data for this Ligand-Target Pair | |
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 | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PIK3CD kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288352
(US10087187, Compound 42)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc2CCNCc12)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C23H26N8O/c1-15-22(28-19-4-2-3-16-5-6-24-12-18(16)19)31-23(27-15)17(20-13-25-14-26-20)11-21(29-31)30-7-9-32-10-8-30/h2-4,11,13-14,24,28H,5-10,12H2,1H3,(H,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 | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
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 | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta after 1 hr by KINOMEscan assay |
J Med Chem 61: 10463-10472 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00975 BindingDB Entry DOI: 10.7270/Q24F1TD1 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM184557
(US9150579, B2)Show SMILES CC(C)Oc1ccc(cc1F)-c1nn([C@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r| Show InChI InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| | n/a | n/a | n/a | >6.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50602176
(CHEMBL5170320)Show SMILES C[C@@H](c1oc2ccc(F)cc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC(F)F)c(F)c2)c2c(N)ncnc12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00206j BindingDB Entry DOI: 10.7270/Q2PC36F2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271149
(CHEMBL4125781)Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r| Show InChI InChI=1S/C29H34F2N6O2/c1-18-16-36(17-19(2)33-18)29(38)20-10-24(26-4-3-5-37(26)23-13-21(30)12-22(31)14-23)28-25(11-20)32-15-27(34-28)35-6-8-39-9-7-35/h10-15,18-19,26,33H,3-9,16-17H2,1-2H3/t18-,19+,26? | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay |
ACS Med Chem Lett 8: 778-780 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00254 BindingDB Entry DOI: 10.7270/Q2TT4TFM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288366
(US10087187, Compound 57)Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(cc(nn34)N3CCOCC3)-c3c[nH]cn3)cccc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H32F3N9O/c1-18-25(34-22-5-3-4-21(27(28,29)30)20(22)16-37-8-6-36(2)7-9-37)39-26(33-18)19(23-15-31-17-32-23)14-24(35-39)38-10-12-40-13-11-38/h3-5,14-15,17,34H,6-13,16H2,1-2H3,(H,31,32) | 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 | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288364
(US10087187, Compound 55 | US10087187, Compound 56)Show SMILES CC(CO)NCc1c(Nc2c(C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3 | 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 | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200968
(CHEMBL3983623 | US10087187, Compound 46)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30) | 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 | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288368
(US10087187, Compound 59)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCNCC1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O/c1-14-21(33-22(29-14)17(27)13-19(31-33)32-9-11-34-12-10-32)30-18-4-2-3-16(23(24,25)26)20(18)15-5-7-28-8-6-15/h2-4,13,15,28,30H,5-12,27H2,1H3 | 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 | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200968
(CHEMBL3983623 | US10087187, Compound 46)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288351
(US10087187, Compound 41)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1 Show InChI InChI=1S/C26H29F3N8O2/c1-17-24(33-21-4-2-3-20(26(27,28)29)19(21)15-35-5-9-38-10-6-35)37-25(32-17)18(22-14-30-16-31-22)13-23(34-37)36-7-11-39-12-8-36/h2-4,13-14,16,33H,5-12,15H2,1H3,(H,30,31) | 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 | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50271156
(CHEMBL4130282)Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r| Show InChI InChI=1S/C25H27F2N5O2/c1-30(2)25(33)16-10-20(22-4-3-5-32(22)19-13-17(26)12-18(27)14-19)24-21(11-16)28-15-23(29-24)31-6-8-34-9-7-31/h10-15,22H,3-9H2,1-2H3/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay |
ACS Med Chem Lett 8: 778-780 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00254 BindingDB Entry DOI: 10.7270/Q2TT4TFM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288348
(US10087187, Compound 38)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O2/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-7-11-35-12-8-32)29-19-4-2-3-17(23(24,25)26)16(19)14-31-5-9-34-10-6-31/h2-4,13,29H,5-12,14,27H2,1H3 | 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 | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288369
(US10087187, Compound 60)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C23H31N7O/c1-15-4-3-5-19(21(15)17-6-8-25-9-7-17)27-22-16(2)26-23-18(24)14-20(28-30(22)23)29-10-12-31-13-11-29/h3-5,14,17,25,27H,6-13,24H2,1-2H3 | 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 | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288364
(US10087187, Compound 55 | US10087187, Compound 56)Show SMILES CC(CO)NCc1c(Nc2c(C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3 | 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 | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288376
(US10087187, Compound 67)Show SMILES Cc1c(Cl)cccc1Nc1c(CO)nc2c(cc(nn12)N1CCOCC1)-c1c[nH]cn1 Show InChI InChI=1S/C21H22ClN7O2/c1-13-15(22)3-2-4-16(13)25-21-18(11-30)26-20-14(17-10-23-12-24-17)9-19(27-29(20)21)28-5-7-31-8-6-28/h2-4,9-10,12,25,30H,5-8,11H2,1H3,(H,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 | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25045
(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
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PIK3CD kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200978
(CHEMBL3956037 | US10087187, Compound 58)Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200978
(CHEMBL3956037 | US10087187, Compound 58)Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3 | 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 | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50240975
(CHEMBL4084907)Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay |
J Med Chem 60: 7524-7538 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288380
(US10087187, Compound 73)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCN(CCO)CC1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C25H32F3N7O2/c1-16-23(35-24(30-16)19(29)15-21(32-35)34-10-13-37-14-11-34)31-20-4-2-3-18(25(26,27)28)22(20)17-5-7-33(8-6-17)9-12-36/h2-4,15,17,31,36H,5-14,29H2,1H3 | 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 | n/a | 28 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM315477
(US10172858, Table 1.1 | US10172858, Table 1.22)Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/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
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
J Med Chem 61: 10084-10105 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01262 BindingDB Entry DOI: 10.7270/Q2X92F07 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288381
(US10087187, Compound 74 | US10087187, Compound 77 ...)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3 | 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 | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288349
(US10087187, Compound 39)Show InChI InChI=1S/C19H24N6O/c1-12-5-4-6-16(13(12)2)22-18-14(3)21-19-15(20)11-17(23-25(18)19)24-7-9-26-10-8-24/h4-6,11,22H,7-10,20H2,1-3H3 | 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 | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM36409
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/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
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for PIK3CD kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288359
(US10087187, Compound 50)Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1)-c1c[nH]cn1 Show InChI InChI=1S/C21H22FN7O/c1-13-16(22)4-3-5-17(13)26-20-14(2)25-21-15(18-11-23-12-24-18)10-19(27-29(20)21)28-6-8-30-9-7-28/h3-5,10-12,26H,6-9H2,1-2H3,(H,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 | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288373
(US10087187, Compound 64)Show InChI InChI=1S/C20H25N7O/c1-13-19(24-17-4-2-3-14-12-22-6-5-15(14)17)27-20(23-13)16(21)11-18(25-27)26-7-9-28-10-8-26/h2-4,11,22,24H,5-10,12,21H2,1H3 | 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 | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288357
(US10087187, Compound 48)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O3S/c1-14-21(33-22(28-14)18(27)10-20(30-33)32-6-8-36-9-7-32)29-19-5-3-4-17(23(24,25)26)16(19)13-31-11-15(12-31)37(2,34)35/h3-5,10,15,29H,6-9,11-13,27H2,1-2H3 | 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 | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288381
(US10087187, Compound 74 | US10087187, Compound 77 ...)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3 | 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 | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288371
(US10087187, Compound 62)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCCC1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-9-11-34-12-10-32)29-19-6-4-5-17(23(24,25)26)16(19)14-31-7-2-3-8-31/h4-6,13,29H,2-3,7-12,14,27H2,1H3 | 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 | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200970
(CHEMBL3955003 | US10087187, Compound 52)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50555461
(CHEMBL4749655)Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human wild type partial length PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.7b01465 BindingDB Entry DOI: 10.7270/Q2765K0S |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50555461
(CHEMBL4749655)Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.7b01465 BindingDB Entry DOI: 10.7270/Q2765K0S |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288372
(US10087187, Compound 63)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1CN1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3 | 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 | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288394
(US10087187, Compound 89)Show SMILES Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)-c1ccn[nH]1 Show InChI InChI=1S/C24H28N8O2/c1-17-23(27-20-4-2-3-5-21(20)30-8-12-33-13-9-30)32-24(26-17)18(19-6-7-25-28-19)16-22(29-32)31-10-14-34-15-11-31/h2-7,16,27H,8-15H2,1H3,(H,25,28) | 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 | n/a | 44 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288353
(US10087187, Compound 43)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCS(=O)(=O)CC1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O3S/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-5-9-36-10-6-32)29-19-4-2-3-17(23(24,25)26)16(19)14-31-7-11-37(34,35)12-8-31/h2-4,13,29H,5-12,14,27H2,1H3 | 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 | n/a | 47 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288381
(US10087187, Compound 74 | US10087187, Compound 77 ...)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3 | 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 | n/a | 47 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288356
(US10087187, Compound 47)Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C24H30F3N7O3S/c1-15-22(34-23(29-15)19(28)12-21(31-34)33-8-10-37-11-9-33)30-20-5-3-4-18(24(25,26)27)17(20)14-32-7-6-16(13-32)38(2,35)36/h3-5,12,16,30H,6-11,13-14,28H2,1-2H3 | 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 | n/a | 47 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200972
(CHEMBL3974658 | US10087187, Compound 22)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(H,30,31) | 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 | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1012-1013 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00406 BindingDB Entry DOI: 10.7270/Q2N29ZX9 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM288384
(US10087187, Compound 79 | US10087187, Compound 84)Show SMILES CC(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H26F3N7O3/c1-12-14(22(23,24)25)4-3-5-16(12)28-20-17(11-35-21(33)13(2)26)29-19-15(27)10-18(30-32(19)20)31-6-8-34-9-7-31/h3-5,10,13,28H,6-9,11,26-27H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50200972
(CHEMBL3974658 | US10087187, Compound 22)Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa... |
US Patent US10087187 (2018)
BindingDB Entry DOI: 10.7270/Q2M61N9J |
More data for this Ligand-Target Pair | |