Found 134 hits with Last Name = 'matson' and Initial = 'ck' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50070322
(CHEMBL3408248 | US9718800, 3.06b)Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM357385
(US10214519, Example 111)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 Show InChI InChI=1S/C22H18ClN7O/c23-17-3-1-2-15-18(4-5-24-20(15)17)30-13-26-21-16(22-25-12-27-28-22)10-14(11-19(21)30)29-6-8-31-9-7-29/h1-5,10-13H,6-9H2,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50541951
(CHEMBL4634912)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)-c1ccncc1)-c1nnc[nH]1 Show InChI InChI=1S/C23H14ClN7/c24-18-3-1-2-16-19(6-9-26-21(16)18)31-13-28-22-17(23-27-12-29-30-23)10-15(11-20(22)31)14-4-7-25-8-5-14/h1-13H,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368743
(US10227350, Compound 158)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H14ClF2N7/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(25)10-13)9-19(22)34(12)18-5-7-29-23-17(27)3-2-16(26)21(18)23/h2-11H,1H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368741
(US10227350, Compound 156)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H16F2N8/c1-12-27-7-5-18(31-12)14-9-15(24-29-11-30-33-24)22-20(10-14)34(13(2)32-22)19-6-8-28-23-17(26)4-3-16(25)21(19)23/h3-11H,1-2H3,(H,29,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM357385
(US10214519, Example 111)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 Show InChI InChI=1S/C22H18ClN7O/c23-17-3-1-2-15-18(4-5-24-20(15)17)30-13-26-21-16(22-25-12-27-28-22)10-14(11-19(21)30)29-6-8-31-9-7-29/h1-5,10-13H,6-9H2,(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368674
(US10227350, Compound 91)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1Cl)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15ClF2N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)25)9-18(21)35(11)17-5-7-29-22-16(27)3-2-15(26)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50059637
(GSK-2636771 | GSK2636771 | US10660898, Example 31)Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368624
(US10227350, Compound 43)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C(F)F)-c1nnc[nH]1 |(-6,-.24,;-4.46,-.24,;-3.98,-1.7,;-2.44,-1.7,;-1.41,-2.85,;.1,-2.53,;.57,-1.06,;-.46,.08,;-1.97,-.24,;-3.21,.67,;-3.21,2.21,;-1.88,2.98,;-1.88,4.52,;-3.21,5.29,;-4.54,4.52,;-5.88,5.29,;-5.88,6.83,;-7.21,4.52,;-7.21,2.98,;-5.88,2.21,;-5.88,.67,;-4.54,2.98,;2.06,-.66,;2.46,.82,;3.95,1.22,;5.03,.13,;4.64,-1.35,;3.15,-1.75,;5.72,-2.44,;5.33,-3.93,;7.21,-2.04,;-1.81,-4.33,;-.9,-5.58,;-1.81,-6.83,;-3.27,-6.35,;-3.27,-4.81,)| Show InChI InChI=1S/C25H15F4N7/c1-12-34-22-15(25-32-11-33-35-25)8-14(13-4-6-30-18(9-13)24(28)29)10-20(22)36(12)19-5-7-31-23-17(27)3-2-16(26)21(19)23/h2-11,24H,1H3,(H,32,33,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368741
(US10227350, Compound 156)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H16F2N8/c1-12-27-7-5-18(31-12)14-9-15(24-29-11-30-33-24)22-20(10-14)34(13(2)32-22)19-6-8-28-23-17(26)4-3-16(25)21(19)23/h3-11H,1-2H3,(H,29,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50070322
(CHEMBL3408248 | US9718800, 3.06b)Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368658
(US10227350, Compound 76)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(N)ncc1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.89,-1.75,;5.38,-1.35,;6.47,-2.44,;5.78,.13,;4.69,1.22,;3.2,.82,;2.11,1.91,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-22-14(24-31-10-32-34-24)6-12(13-8-20(28)30-9-17(13)27)7-19(22)35(11)18-4-5-29-23-16(26)3-2-15(25)21(18)23/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368743
(US10227350, Compound 158)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H14ClF2N7/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(25)10-13)9-19(22)34(12)18-5-7-29-23-17(27)3-2-16(26)21(18)23/h2-11H,1H3,(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM368741
(US10227350, Compound 156)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H16F2N8/c1-12-27-7-5-18(31-12)14-9-15(24-29-11-30-33-24)22-20(10-14)34(13(2)32-22)19-6-8-28-23-17(26)4-3-16(25)21(19)23/h3-11H,1-2H3,(H,29,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM357385
(US10214519, Example 111)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1 Show InChI InChI=1S/C22H18ClN7O/c23-17-3-1-2-15-18(4-5-24-20(15)17)30-13-26-21-16(22-25-12-27-28-22)10-14(11-19(21)30)29-6-8-31-9-7-29/h1-5,10-13H,6-9H2,(H,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM368740
(US10227350, Compound 155)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(C)ncn1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;4.01,-1.27,;5.5,-.87,;6.59,-1.96,;5.9,.62,;4.81,1.71,;3.32,1.31,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H16F2N8/c1-12-7-18(29-10-28-12)14-8-15(24-30-11-31-33-24)22-20(9-14)34(13(2)32-22)19-5-6-27-23-17(26)4-3-16(25)21(19)23/h3-11H,1-2H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50447094
(CHEMBL1972466)Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus ... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM368743
(US10227350, Compound 158)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)| Show InChI InChI=1S/C24H14ClF2N7/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(25)10-13)9-19(22)34(12)18-5-7-29-23-17(27)3-2-16(26)21(18)23/h2-11H,1H3,(H,30,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50541951
(CHEMBL4634912)Show SMILES Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)-c1ccncc1)-c1nnc[nH]1 Show InChI InChI=1S/C23H14ClN7/c24-18-3-1-2-16-19(6-9-26-21(16)18)31-13-28-22-17(23-27-12-29-30-23)10-15(11-20(22)31)14-4-7-25-8-5-14/h1-13H,(H,27,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368688
(US10227350, Compound 103 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H16F2N8/c1-12-32-22-15(24-30-11-31-33-24)8-14(13-4-6-28-20(27)10-13)9-19(22)34(12)18-5-7-29-23-17(26)3-2-16(25)21(18)23/h2-11H,1H3,(H2,27,28)(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368625
(US10227350, Compound 113 | US10227350, Compound 11...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)| Show InChI InChI=1S/C25H14F2N8/c1-13-33-23-17(25-31-12-32-34-25)9-15(14-4-6-29-16(8-14)11-28)10-21(23)35(13)20-5-7-30-24-19(27)3-2-18(26)22(20)24/h2-10,12H,1H3,(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368724
(US10227350, Compound 139 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)| Show InChI InChI=1S/C24H15F2N7/c1-13-31-22-16(24-29-12-30-32-24)10-15(14-4-7-27-8-5-14)11-20(22)33(13)19-6-9-28-23-18(26)3-2-17(25)21(19)23/h2-12H,1H3,(H,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM368657
(US10227350, Compound 105 | US10227350, Compound 10...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15F3N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)27)9-18(21)35(11)17-5-7-29-22-16(26)3-2-15(25)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368674
(US10227350, Compound 91)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1Cl)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C24H15ClF2N8/c1-11-33-21-14(24-31-10-32-34-24)8-12(13-4-6-30-23(28)20(13)25)9-18(21)35(11)17-5-7-29-22-16(27)3-2-15(26)19(17)22/h2-10H,1H3,(H2,28,30)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50059637
(GSK-2636771 | GSK2636771 | US10660898, Example 31)Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM368626
(US10227350, Compound 141 | US10227350, Compound 14...)Show SMILES Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)| Show InChI InChI=1S/C25H17F2N7/c1-13-9-15(5-7-28-13)16-10-17(25-30-12-31-33-25)23-21(11-16)34(14(2)32-23)20-6-8-29-24-19(27)4-3-18(26)22(20)24/h3-12H,1-2H3,(H,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET as... |
ACS Med Chem Lett 11: 1236-1243 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00095
BindingDB Entry DOI: 10.7270/Q2K35Z7J |
More data for this
Ligand-Target Pair | |
Search and Browse
