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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 3271   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427456
PNG
(CHEMBL2326953 | US10308662, Compound 44 | US950578...)
Show SMILES COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c1-23-19(22)13-4-2-12(3-5-13)14-11-26-18-15(21)10-16(25-17(14)18)20-6-8-24-9-7-20/h2-5,10-11H,6-9H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 21n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427457
PNG
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 27.1n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 34n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 39.1n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259879
PNG
(US10308662, Compound 118 | US9505780, 118)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
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n/an/a 53n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427488
PNG
(CHEMBL2326956 | US10308662, Compound 100 | US95057...)
Show SMILES OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-14-9-15(19-5-7-23-8-6-19)24-16-13(10-25-17(14)16)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H,21,22)
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n/an/a 55.2n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM259879
PNG
(US10308662, Compound 118 | US9505780, 118)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
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n/an/a 90n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 95n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427476
PNG
(CHEMBL2322247 | US10308662, Compound 11 | US950578...)
Show SMILES Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H16N2O3S/c18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19/h1-3,8-10H,4-7,18H2
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n/an/a 154n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 158n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259879
PNG
(US10308662, Compound 118 | US9505780, 118)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
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n/an/a 193n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 214n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259890
PNG
(US10308662, Compound 131 | US9505780, 131)
Show SMILES Cc1n[nH]c2cc(ccc12)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3S/c1-11-13-3-2-12(8-15(13)21-20-11)14-10-26-19-16(23)9-17(25-18(14)19)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,20,21)
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n/an/a 231n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM259879
PNG
(US10308662, Compound 118 | US9505780, 118)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
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n/an/a 235n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 241n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259880
PNG
(US10308662, Compound 121 | US9505780, 121)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)-c2csc3c2oc(cc3=O)N2CCOCC2)c(Nc2ccc(I)cc2F)c1F
Show InChI InChI=1S/C30H21F3IN3O4S/c31-21-7-6-19(27(26(21)33)36-23-8-3-17(34)13-22(23)32)30(39)35-18-4-1-16(2-5-18)20-15-42-29-24(38)14-25(41-28(20)29)37-9-11-40-12-10-37/h1-8,13-15,36H,9-12H2,(H,35,39)
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n/an/a 255n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427488
PNG
(CHEMBL2326956 | US10308662, Compound 100 | US95057...)
Show SMILES OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-14-9-15(19-5-7-23-8-6-19)24-16-13(10-25-17(14)16)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H,21,22)
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n/an/a 259n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50427457
PNG
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 277n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427488
PNG
(CHEMBL2326956 | US10308662, Compound 100 | US95057...)
Show SMILES OC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H15NO5S/c20-14-9-15(19-5-7-23-8-6-19)24-16-13(10-25-17(14)16)11-1-3-12(4-2-11)18(21)22/h1-4,9-10H,5-8H2,(H,21,22)
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n/an/a 295n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427454
PNG
(CHEMBL2322239 | US10308662, Compound 6 | US9505780...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 297n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 326n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259889
PNG
(US10308662, Compound 130 | US9505780, 130)
Show SMILES Cn1ncc2ccc(cc12)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3S/c1-21-15-8-12(2-3-13(15)10-20-21)14-11-26-19-16(23)9-17(25-18(14)19)22-4-6-24-7-5-22/h2-3,8-11H,4-7H2,1H3
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n/an/a 349n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 356n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM50427454
PNG
(CHEMBL2322239 | US10308662, Compound 6 | US9505780...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 378n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 393n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427456
PNG
(CHEMBL2326953 | US10308662, Compound 44 | US950578...)
Show SMILES COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c1-23-19(22)13-4-2-12(3-5-13)14-11-26-18-15(21)10-16(25-17(14)18)20-6-8-24-9-7-20/h2-5,10-11H,6-9H2,1H3
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n/an/a 400n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM259890
PNG
(US10308662, Compound 131 | US9505780, 131)
Show SMILES Cc1n[nH]c2cc(ccc12)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3S/c1-11-13-3-2-12(8-15(13)21-20-11)14-10-26-19-16(23)9-17(25-18(14)19)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,20,21)
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n/an/a 446n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259883
PNG
(US10308662, Compound 124 | US9505780, 124)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCSCC1
Show InChI InChI=1S/C19H17NO4S2/c21-14-10-17(20-3-7-25-8-4-20)24-18-13(11-26-19(14)18)12-1-2-15-16(9-12)23-6-5-22-15/h1-2,9-11H,3-8H2
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n/an/a 480n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259883
PNG
(US10308662, Compound 124 | US9505780, 124)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCSCC1
Show InChI InChI=1S/C19H17NO4S2/c21-14-10-17(20-3-7-25-8-4-20)24-18-13(11-26-19(14)18)12-1-2-15-16(9-12)23-6-5-22-15/h1-2,9-11H,3-8H2
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n/an/a 519n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427456
PNG
(CHEMBL2326953 | US10308662, Compound 44 | US950578...)
Show SMILES COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c1-23-19(22)13-4-2-12(3-5-13)14-11-26-18-15(21)10-16(25-17(14)18)20-6-8-24-9-7-20/h2-5,10-11H,6-9H2,1H3
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n/an/a 547n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50427485
PNG
(CHEMBL2326959 | US10308662, Compound 120 | US95057...)
Show SMILES O=C(Nc1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C23H19N3O4S/c27-19-13-20(26-9-11-29-12-10-26)30-21-18(14-31-22(19)21)15-1-3-17(4-2-15)25-23(28)16-5-7-24-8-6-16/h1-8,13-14H,9-12H2,(H,25,28)
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n/an/a 556n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259892
PNG
(US10308662, Compound 133 | US9505780, 133)
Show SMILES CNC(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4S/c1-20-19(24)21-13-4-2-3-12(9-13)14-11-27-18-15(23)10-16(26-17(14)18)22-5-7-25-8-6-22/h2-4,9-11H,5-8H2,1H3,(H2,20,21,24)
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n/an/a 558n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM50427457
PNG
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 628n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259894
PNG
(US10308662, Compound 135 | US9505780, 135)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C25H23N3O4S/c1-16-4-2-6-18(12-16)26-25(30)27-19-7-3-5-17(13-19)20-15-33-24-21(29)14-22(32-23(20)24)28-8-10-31-11-9-28/h2-7,12-15H,8-11H2,1H3,(H2,26,27,30)
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n/an/a 646n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259893
PNG
(US10308662, Compound 134 | US9505780, 134)
Show SMILES CN(C)C(=O)Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H21N3O4S/c1-22(2)20(25)21-14-5-3-4-13(10-14)15-12-28-19-16(24)11-17(27-18(15)19)23-6-8-26-9-7-23/h3-5,10-12H,6-9H2,1-2H3,(H,21,25)
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n/an/a 662n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [349-460]


(Homo sapiens (Human))
BDBM259889
PNG
(US10308662, Compound 130 | US9505780, 130)
Show SMILES Cn1ncc2ccc(cc12)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17N3O3S/c1-21-15-8-12(2-3-13(15)10-20-21)14-11-26-19-16(23)9-17(25-18(14)19)22-4-6-24-7-5-22/h2-3,8-11H,4-7H2,1H3
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n/an/a 695n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50427457
PNG
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 714n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 736n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259896
PNG
(US10308662, Compound 137 | US9505780, 137)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)c1
Show InChI InChI=1S/C26H25N3O4S/c1-16-6-7-17(2)21(12-16)28-26(31)27-19-5-3-4-18(13-19)20-15-34-25-22(30)14-23(33-24(20)25)29-8-10-32-11-9-29/h3-7,12-15H,8-11H2,1-2H3,(H2,27,28,31)
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n/an/a 748n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427454
PNG
(CHEMBL2322239 | US10308662, Compound 6 | US9505780...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H15NO3S/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 784n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM259879
PNG
(US10308662, Compound 118 | US9505780, 118)
Show SMILES ONC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
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n/an/a 806n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50427456
PNG
(CHEMBL2326953 | US10308662, Compound 44 | US950578...)
Show SMILES COC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c1-23-19(22)13-4-2-12(3-5-13)14-11-26-18-15(21)10-16(25-17(14)18)20-6-8-24-9-7-20/h2-5,10-11H,6-9H2,1H3
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n/an/a 811n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM50427476
PNG
(CHEMBL2322247 | US10308662, Compound 11 | US950578...)
Show SMILES Nc1cccc(c1)-c1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C17H16N2O3S/c18-12-3-1-2-11(8-12)13-10-23-17-14(20)9-15(22-16(13)17)19-4-6-21-7-5-19/h1-3,8-10H,4-7,18H2
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n/an/a 843n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM259885
PNG
(US10308662, Compound 126 | US9505780, 126)
Show SMILES Brc1csc2c1oc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C11H10BrNO3S/c12-7-6-17-11-8(14)5-9(16-10(7)11)13-1-3-15-4-2-13/h5-6H,1-4H2
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n/an/a 889n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM259881
PNG
(US10308662, Compound 122 | US9505780, 122)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(c2)-c2csc3c2oc(cc3=O)N2CCOCC2)no1
Show InChI InChI=1S/C25H26N4O5S/c1-25(2,3)19-13-20(28-34-19)27-24(31)26-16-6-4-5-15(11-16)17-14-35-23-18(30)12-21(33-22(17)23)29-7-9-32-10-8-29/h4-6,11-14H,7-10H2,1-3H3,(H2,26,27,28,31)
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n/an/a 950n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50427453
PNG
(CHEMBL2322228 | US10308662, Compound 28 | US950578...)
Show SMILES O=c1cc(oc2c(csc12)-c1ccc2OCCOc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
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n/an/a 960n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-167]


(Homo sapiens (Human))
BDBM259884
PNG
(US10308662, Compound 125 | US9505780, 125)
Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCSCC1
Show InChI InChI=1S/C20H19NO4S2/c1-2-24-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(25-18(15)19)21-7-9-26-10-8-21/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomai...


J Med Chem 50: 2647-54 (2007)


BindingDB Entry DOI: 10.7270/Q24170D7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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