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Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'tyrchan' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223288
PNG
((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1
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US Patent
n/an/a 0.248n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223287
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
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n/an/a 0.289n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239550
PNG
(CHEMBL4060741)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r|
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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239559
PNG
(CHEMBL4073594)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 0.398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM310035
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...)
Show SMILES CCCN(c1cnc(C(=O)C2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F |r|
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n/an/a 0.483n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239540
PNG
(CHEMBL4086230)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239542
PNG
(CHEMBL4069417)
Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239552
PNG
(CHEMBL4070433)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239549
PNG
(CHEMBL4096646)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r|
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234161
PNG
(CHEMBL4091680)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(N)=O
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234157
PNG
(CHEMBL4089227)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234157
PNG
(CHEMBL4089227)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234161
PNG
(CHEMBL4091680)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(N)=O
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239557
PNG
(CHEMBL4102634)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239548
PNG
(CHEMBL4080523)
Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239555
PNG
(CHEMBL4094000)
Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239553
PNG
(CHEMBL4083582)
Show SMILES CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239545
PNG
(CHEMBL4092688)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239560
PNG
(CHEMBL4081062)
Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239551
PNG
(CHEMBL4091365)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r|
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM223290
PNG
((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...)
Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1
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n/an/a 0.658n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US9657001 (2017)


BindingDB Entry DOI: 10.7270/Q2SJ1NPG
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234158
PNG
(CHEMBL4072500)
Show SMILES CN(C)S(=O)(=O)n1cc(cn1)-c1nc(cnc1N)-c1nc(n(C)n1)C1(CC1)c1ccccc1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3K subunit p110gamma assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polar...


Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239543
PNG
(CHEMBL4101730)
Show SMILES CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239539
PNG
(CHEMBL4088952)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239559
PNG
(CHEMBL4073594)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239547
PNG
(CHEMBL4104746)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239561
PNG
(CHEMBL4061810)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239556
PNG
(CHEMBL4083733)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239546
PNG
(CHEMBL4065004)
Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234158
PNG
(CHEMBL4072500)
Show SMILES CN(C)S(=O)(=O)n1cc(cn1)-c1nc(cnc1N)-c1nc(n(C)n1)C1(CC1)c1ccccc1
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
PDB
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239561
PNG
(CHEMBL4061810)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCN(CCN3CCOCC3)CC2)c1 |r|
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239555
PNG
(CHEMBL4094000)
Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239541
PNG
(CHEMBL4064748)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239543
PNG
(CHEMBL4101730)
Show SMILES CCN(CCN1CCOCC1)Cc1cccc(c1)-c1c(cc2scc(C)n2c1=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239550
PNG
(CHEMBL4060741)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239558
PNG
(CHEMBL4078365)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239560
PNG
(CHEMBL4081062)
Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239554
PNG
(CHEMBL4073335)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)CCC(F)(F)F)c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239542
PNG
(CHEMBL4069417)
Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239547
PNG
(CHEMBL4104746)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50239544
PNG
(CHEMBL4099101)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239540
PNG
(CHEMBL4086230)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r|
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239556
PNG
(CHEMBL4083733)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r|
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234154
PNG
(CHEMBL4100327)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1c[nH]c2ccccc12
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234159
PNG
(CHEMBL4099419)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1cc(cn1)C(N)=O
PDB
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Bioorg Med Chem Lett 27: 679-687 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239549
PNG
(CHEMBL4096646)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r|
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239548
PNG
(CHEMBL4080523)
Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239539
PNG
(CHEMBL4088952)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r|
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
More data for this
Ligand-Target Pair
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