Found 60 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50458735
(CHEMBL4218171)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H24F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,5-6,10H2,1-4H3,(H2,23,24)/t11-/m0/s1 | 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 |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458742
(CHEMBL4218707)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CCC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C20H24F3N5O3S/c1-12-11-31-7-6-28(12)18-26-15(13-10-25-17(24)8-14(13)20(21,22)23)9-16(27-18)19(4-3-5-19)32(2,29)30/h8-10,12H,3-7,11H2,1-2H3,(H2,24,25)/t12-/m0/s1 | 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 |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458747
(CHEMBL4203634)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C23H21F4N5O3S/c24-16-3-1-2-4-18(16)36(33,34)22(5-6-22)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h1-4,11-13H,5-10H2,(H2,28,29) | 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 |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458756
(CHEMBL4202499)Show SMILES CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H24F3N5O3S/c1-22(2,35(32,33)15-6-4-3-5-7-15)19-13-18(29-21(30-19)31-8-10-34-11-9-31)16-14-28-20(27)12-17(16)23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H2,27,28) | 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 |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458732
(CHEMBL4206442)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m0/s1 | 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 |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
MMDB
PC cid
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PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged p85alpha/p110alpha E545K mutant expressed in insect cells |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged p85alpha/p110alpha E545K mutant expressed in insect cells |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged p85alpha/p110alpha E542K mutant expressed in insect cells |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458733
(CHEMBL4203109)Show SMILES CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C18H22F3N5O3S/c1-17(2,30(3,27)28)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,4-7H2,1-3H3,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458739
(CHEMBL4215969)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,2-7H2,1H3,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458743
(CHEMBL4215235)Show SMILES CCS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O3S/c1-2-31(28,29)18(3-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22/h9-11H,2-8H2,1H3,(H2,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458751
(CHEMBL4204166)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C23H21F4N5O3S/c24-14-2-1-3-15(10-14)36(33,34)22(4-5-22)19-12-18(30-21(31-19)32-6-8-35-9-7-32)16-13-29-20(28)11-17(16)23(25,26)27/h1-3,10-13H,4-9H2,(H2,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of p110alpha H1047R mutant (unknown origin) |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458752
(CHEMBL4214713)Show SMILES CS(=O)(=O)C1(CCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C19H22F3N5O3S/c1-31(28,29)18(3-2-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22/h9-11H,2-8H2,1H3,(H2,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458736
(CHEMBL4211402)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H24FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458753
(CHEMBL4213772)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CCCC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N5O3S/c1-13-12-32-8-7-29(13)19-27-16(14-11-26-18(25)9-15(14)21(22,23)24)10-17(28-19)20(33(2,30)31)5-3-4-6-20/h9-11,13H,3-8,12H2,1-2H3,(H2,25,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458738
(CHEMBL4205959)Show SMILES CS(=O)(=O)C(F)(F)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C16H16F5N5O3S/c1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19/h6-8H,2-5H2,1H3,(H2,22,23) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of p110alpha H1047R mutant (unknown origin) |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458746
(CHEMBL4207389)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C23H22F3N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H2,27,28) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged p85alpha/p110alpha E542K mutant expressed in insect cells |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458744
(CHEMBL4210301)Show SMILES CCS(=O)(=O)C(C)(C)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C19H24F3N5O3S/c1-4-31(28,29)18(2,3)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22/h9-11H,4-8H2,1-3H3,(H2,23,24) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458755
(CHEMBL4208505)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1F Show InChI InChI=1S/C17H20FN5O3S/c1-27(24,25)17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23/h8-10H,2-7H2,1H3,(H2,19,20) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458731
(CHEMBL4206215)Show SMILES CS(=O)(=O)C1(CCCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O3S/c1-32(29,30)19(4-2-3-5-19)16-11-15(26-18(27-16)28-6-8-31-9-7-28)13-12-25-17(24)10-14(13)20(21,22)23/h10-12H,2-9H2,1H3,(H2,24,25) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length p85alpha expressed in baculovirus infected... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458737
(CHEMBL4213112)Show SMILES CS(=O)(=O)C(F)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C16H17F4N5O3S/c1-29(26,27)14(17)12-7-11(23-15(24-12)25-2-4-28-5-3-25)9-8-22-13(21)6-10(9)16(18,19)20/h6-8,14H,2-5H2,1H3,(H2,21,22) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458757
(CHEMBL4215841)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C23H21F4N5O3S/c24-14-1-3-15(4-2-14)36(33,34)22(5-6-22)19-12-18(30-21(31-19)32-7-9-35-10-8-32)16-13-29-20(28)11-17(16)23(25,26)27/h1-4,11-13H,5-10H2,(H2,28,29) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458754
(CHEMBL4210822)Show SMILES CC(C)S(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O3S/c1-12(2)32(29,30)19(3-4-19)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23/h9-12H,3-8H2,1-2H3,(H2,24,25) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458745
(CHEMBL4205938)Show SMILES CC(C)S(=O)(=O)C(C)(C)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C20H26F3N5O3S/c1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23/h9-12H,5-8H2,1-4H3,(H2,24,25) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458748
(CHEMBL4207037)Show SMILES CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1F)S(C)(=O)=O Show InChI InChI=1S/C17H22FN5O3S/c1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23/h8-10H,4-7H2,1-3H3,(H2,19,20) | PDB
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Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length p85alpha expressed in baculovirus infected... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50458732
(CHEMBL4206442)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 a... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458750
(CHEMBL4210320)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C16H18F3N5O3S/c1-28(25,26)9-10-6-13(23-15(22-10)24-2-4-27-5-3-24)11-8-21-14(20)7-12(11)16(17,18)19/h6-8H,2-5,9H2,1H3,(H2,20,21) | PDB
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| Article
PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458732
(CHEMBL4206442)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m0/s1 | 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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length p85alpha expressed in baculovirus infected... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458734
(CHEMBL4210843)Show SMILES CC(C)C(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H24F3N5O3S/c1-11(2)17(31(3,28)29)15-9-14(25-18(26-15)27-4-6-30-7-5-27)12-10-24-16(23)8-13(12)19(20,21)22/h8-11,17H,4-7H2,1-3H3,(H2,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458741
(CHEMBL4216218)Show SMILES C[C@@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/recombinant human full length p85alpha expressed in baculovirus infected ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458739
(CHEMBL4215969)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,2-7H2,1H3,(H2,22,23) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length p85alpha expressed in baculovirus infected... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458732
(CHEMBL4206442)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/recombinant human full length p85alpha expressed in baculovirus infected ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50458739
(CHEMBL4215969)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,2-7H2,1H3,(H2,22,23) | 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 | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458739
(CHEMBL4215969)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,2-7H2,1H3,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/recombinant human full length p85alpha expressed in baculovirus infected ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458740
(CHEMBL4211255)Show SMILES CS(=O)(=O)C1(CCCCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C21H26F3N5O3S/c1-33(30,31)20(5-3-2-4-6-20)17-12-16(27-19(28-17)29-7-9-32-10-8-29)14-13-26-18(25)11-15(14)21(22,23)24/h11-13H,2-10H2,1H3,(H2,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | 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
Similars
| PDB
Article
PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
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)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/recombinant human full length p85alpha expressed in baculovirus infected ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50458739
(CHEMBL4215969)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C18H20F3N5O3S/c1-30(27,28)17(2-3-17)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,2-7H2,1H3,(H2,22,23) | 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 | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 a... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50380363
(CHEMBL2017974 | US10173995, Compound 1)Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23) | 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
Similars
| Article
PubMed
| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 a... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50458732
(CHEMBL4206442)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O3S/c1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(3-4-18)31(2,28)29)12-9-24-16(23)7-13(12)19(20,21)22/h7-9,11H,3-6,10H2,1-2H3,(H2,23,24)/t11-/m0/s1 | 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 | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 a... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mi... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 5 mins followed by NADPH addition and measured after 5 min... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 m... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate pretreated for 5 mins followed by NADPH addition and measured after 5 ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 m... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 m... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate pretreated for 5 mins followed by NADPH addition and measured after ... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mi... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50458750
(CHEMBL4210320)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F Show InChI InChI=1S/C16H18F3N5O3S/c1-28(25,26)9-10-6-13(23-15(22-10)24-2-4-27-5-3-24)11-8-21-14(20)7-12(11)16(17,18)19/h6-8H,2-5,9H2,1H3,(H2,20,21) | 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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 a... |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50458749
(CHEMBL4211915)Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H22FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(3-4-18)28(2,25)26/h7-9,11H,3-6,10H2,1-2H3,(H2,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Haiyan Pharmaceutical Technology Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ERG expressed in CHO cells by automated whole cell patch clamp Qpatch method |
ACS Med Chem Lett 9: 719-724 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00167
BindingDB Entry DOI: 10.7270/Q21V5HK8 |
More data for this
Ligand-Target Pair | |
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