Found 124 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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358628
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245550
(CHEMBL4096456)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245561
(CHEMBL4069213)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358638
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12-/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 | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245582
(CHEMBL4080090)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-27(20(29)21(2,3)30-14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358657
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245562
(CHEMBL4097187)Show SMILES [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H] Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358653
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358627
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358577
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358632
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245551
(CHEMBL4081613)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245552
(CHEMBL4105636)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245521
(CHEMBL4065999)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245542
(CHEMBL4077544)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245585
(CHEMBL4072098)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358576
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245545
(CHEMBL4076745)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-30(20(32)21(2,3)33-14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245581
(CHEMBL4092654)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245543
(CHEMBL4084394)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245544
(CHEMBL4067250)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245583
(CHEMBL4071877)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H21F3N8O2/c1-23(2)22(36)33(7-8-37-23)18-9-14(3-4-15(18)11-28)19-10-16(20-21(29)30-13-32-35(19)20)17-5-6-31-34(17)12-24(25,26)27/h3-6,9-10,13H,7-8,12H2,1-2H3,(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245577
(CHEMBL4067592)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C18H18ClN5O2/c1-18(2)17(25)23(6-7-26-18)12-5-3-4-11(8-12)14-9-13(19)15-16(20)21-10-22-24(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245583
(CHEMBL4071877)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H21F3N8O2/c1-23(2)22(36)33(7-8-37-23)18-9-14(3-4-15(18)11-28)19-10-16(20-21(29)30-13-32-35(19)20)17-5-6-31-34(17)12-24(25,26)27/h3-6,9-10,13H,7-8,12H2,1-2H3,(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245578
(CHEMBL4061641)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2/c1-18(2)17(28)26(6-7-29-18)12-5-3-4-11(8-12)14-9-13(19(20,21)22)15-16(23)24-10-25-27(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245579
(CHEMBL4063245)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H20ClN5O3/c1-19(2)18(26)24(6-7-28-19)14-8-11(4-5-15(14)27-3)13-9-12(20)16-17(21)22-10-23-25(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245550
(CHEMBL4096456)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245550
(CHEMBL4096456)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245580
(CHEMBL4084897)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O3/c1-19(2)18(29)27(6-7-31-19)14-8-11(4-5-15(14)30-3)13-9-12(20(21,22)23)16-17(24)25-10-26-28(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245584
(CHEMBL4089756)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H24F3N7O3/c1-23(2)22(35)32(8-9-37-23)18-10-14(4-5-19(18)36-3)17-11-15(20-21(28)29-13-31-34(17)20)16-6-7-30-33(16)12-24(25,26)27/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245581
(CHEMBL4092654)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245518
(CHEMBL4105190)Show SMILES Nc1ncnn2c(cc(c12)C(F)(F)F)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)12-7-13(25-15(12)16(21)22-9-23-25)10-2-1-3-11(6-10)24-4-5-27-8-14(24)26/h1-3,6-7,9H,4-5,8H2,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245582
(CHEMBL4080090)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-27(20(29)21(2,3)30-14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358628
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245572
(CHEMBL4080945)Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245584
(CHEMBL4089756)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H24F3N7O3/c1-23(2)22(35)32(8-9-37-23)18-10-14(4-5-19(18)36-3)17-11-15(20-21(28)29-13-31-34(17)20)16-6-7-30-33(16)12-24(25,26)27/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245572
(CHEMBL4080945)Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245552
(CHEMBL4105636)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358632
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358577
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358627
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245519
(CHEMBL4088828)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358638
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12-/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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358657
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245585
(CHEMBL4072098)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245521
(CHEMBL4065999)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245582
(CHEMBL4080090)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-27(20(29)21(2,3)30-14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245542
(CHEMBL4077544)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358576
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358653
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245581
(CHEMBL4092654)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245561
(CHEMBL4069213)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358577
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
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 |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358632
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358638
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12-/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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245543
(CHEMBL4084394)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245542
(CHEMBL4077544)Show SMILES C[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245552
(CHEMBL4105636)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358657
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245551
(CHEMBL4081613)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245519
(CHEMBL4088828)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245544
(CHEMBL4067250)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358653
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245545
(CHEMBL4076745)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-30(20(32)21(2,3)33-14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245585
(CHEMBL4072098)Show SMILES C[C@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245521
(CHEMBL4065999)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-29-20(2,3)19(28)26(11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245545
(CHEMBL4076745)Show SMILES CC[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-30(20(32)21(2,3)33-14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM358576
((R)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C20H19ClN6O2/c1-11-9-26(19(28)20(2,3)29-11)15-6-12(4-5-13(15)8-22)16-7-14(21)17-18(23)24-10-25-27(16)17/h4-7,10-11H,9H2,1-3H3,(H2,23,24,25)/t11-/m1/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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245577
(CHEMBL4067592)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C18H18ClN5O2/c1-18(2)17(25)23(6-7-26-18)12-5-3-4-11(8-12)14-9-13(19)15-16(20)21-10-22-24(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245581
(CHEMBL4092654)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245579
(CHEMBL4063245)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H20ClN5O3/c1-19(2)18(26)24(6-7-28-19)14-8-11(4-5-15(14)27-3)13-9-12(20)16-17(21)22-10-23-25(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245543
(CHEMBL4084394)Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245544
(CHEMBL4067250)Show SMILES C[C@@H]1CN(C(=O)C(C)(C)O1)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N6O2/c1-11-9-29(19(31)20(2,3)32-11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)/t11-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245579
(CHEMBL4063245)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H20ClN5O3/c1-19(2)18(26)24(6-7-28-19)14-8-11(4-5-15(14)27-3)13-9-12(20)16-17(21)22-10-23-25(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245580
(CHEMBL4084897)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O3/c1-19(2)18(29)27(6-7-31-19)14-8-11(4-5-15(14)30-3)13-9-12(20(21,22)23)16-17(24)25-10-26-28(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245551
(CHEMBL4081613)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245578
(CHEMBL4061641)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2/c1-18(2)17(28)26(6-7-29-18)12-5-3-4-11(8-12)14-9-13(19(20,21)22)15-16(23)24-10-25-27(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245562
(CHEMBL4097187)Show SMILES [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(ccc2C#N)-c2cc(Cl)c3c(N)ncnn23)C1([2H])[2H] Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245561
(CHEMBL4069213)Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@@H]1C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 |r| Show InChI InChI=1S/C21H21ClN6O2/c1-11-12(2)30-21(3,4)20(29)27(11)16-7-13(5-6-14(16)9-23)17-8-15(22)18-19(24)25-10-26-28(17)18/h5-8,10-12H,1-4H3,(H2,24,25,26)/t11-,12+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245580
(CHEMBL4084897)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H20F3N5O3/c1-19(2)18(29)27(6-7-31-19)14-8-11(4-5-15(14)30-3)13-9-12(20(21,22)23)16-17(24)25-10-26-28(13)16/h4-5,8-10H,6-7H2,1-3H3,(H2,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245581
(CHEMBL4092654)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C19H17ClN6O2/c1-19(2)18(27)25(5-6-28-19)14-7-11(3-4-12(14)9-21)15-8-13(20)16-17(22)23-10-24-26(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50245518
(CHEMBL4105190)Show SMILES Nc1ncnn2c(cc(c12)C(F)(F)F)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)12-7-13(25-15(12)16(21)22-9-23-25)10-2-1-3-11(6-10)24-4-5-27-8-14(24)26/h1-3,6-7,9H,4-5,8H2,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245520
(CHEMBL4093593)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C20H17F3N6O2/c1-19(2)18(30)28(5-6-31-19)14-7-11(3-4-12(14)9-24)15-8-13(20(21,22)23)16-17(25)26-10-27-29(15)16/h3-4,7-8,10H,5-6H2,1-2H3,(H2,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245577
(CHEMBL4067592)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12 Show InChI InChI=1S/C18H18ClN5O2/c1-18(2)17(25)23(6-7-26-18)12-5-3-4-11(8-12)14-9-13(19)15-16(20)21-10-22-24(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245584
(CHEMBL4089756)Show SMILES COc1ccc(cc1N1CCOC(C)(C)C1=O)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H24F3N7O3/c1-23(2)22(35)32(8-9-37-23)18-10-14(4-5-19(18)36-3)17-11-15(20-21(28)29-13-31-34(17)20)16-6-7-30-33(16)12-24(25,26)27/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245572
(CHEMBL4080945)Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245583
(CHEMBL4071877)Show SMILES CC1(C)OCCN(C1=O)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C24H21F3N8O2/c1-23(2)22(36)33(7-8-37-23)18-9-14(3-4-15(18)11-28)19-10-16(20-21(29)30-13-32-35(19)20)17-5-6-31-34(17)12-24(25,26)27/h3-6,9-10,13H,7-8,12H2,1-2H3,(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245578
(CHEMBL4061641)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(c2c(N)ncnn12)C(F)(F)F Show InChI InChI=1S/C19H18F3N5O2/c1-18(2)17(28)26(6-7-29-18)12-5-3-4-11(8-12)14-9-13(19(20,21)22)15-16(23)24-10-25-27(14)15/h3-5,8-10H,6-7H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245518
(CHEMBL4105190)Show SMILES Nc1ncnn2c(cc(c12)C(F)(F)F)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)12-7-13(25-15(12)16(21)22-9-23-25)10-2-1-3-11(6-10)24-4-5-27-8-14(24)26/h1-3,6-7,9H,4-5,8H2,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50245572
(CHEMBL4080945)Show InChI InChI=1S/C16H14ClN5O2/c17-12-7-13(22-15(12)16(18)19-9-20-22)10-2-1-3-11(6-10)21-4-5-24-8-14(21)23/h1-3,6-7,9H,4-5,8H2,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50245519
(CHEMBL4088828)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50245517
(CHEMBL4086343)Show SMILES Nc1ncnn2c(cc(-c3ccnn3CC(F)(F)F)c12)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C21H18F3N7O2/c22-21(23,24)11-30-16(4-5-27-30)15-9-17(31-19(15)20(25)26-12-28-31)13-2-1-3-14(8-13)29-6-7-33-10-18(29)32/h1-5,8-9,12H,6-7,10-11H2,(H2,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50245518
(CHEMBL4105190)Show SMILES Nc1ncnn2c(cc(c12)C(F)(F)F)-c1cccc(c1)N1CCOCC1=O Show InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)12-7-13(25-15(12)16(21)22-9-23-25)10-2-1-3-11(6-10)24-4-5-27-8-14(24)26/h1-3,6-7,9H,4-5,8H2,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50245519
(CHEMBL4088828)Show SMILES CC1(C)OCCN(C1=O)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 Show InChI InChI=1S/C23H22F3N7O2/c1-22(2)21(34)31(8-9-35-22)15-5-3-4-14(10-15)18-11-16(19-20(27)28-13-30-33(18)19)17-6-7-29-32(17)12-23(24,25)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50245571
(CHEMBL4091875)Show SMILES C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O2/c1-11-12(2)33-21(3,4)20(32)30(11)16-7-13(5-6-14(16)9-26)17-8-15(22(23,24)25)18-19(27)28-10-29-31(17)18/h5-8,10-12H,1-4H3,(H2,27,28,29)/t11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 2849-2853 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.077
BindingDB Entry DOI: 10.7270/Q25M684R |
More data for this
Ligand-Target Pair | |
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