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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'lim' and Initial = 'cs'   
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
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349368
PNG
(US10207991, Ex. Cpd. No. 11 | US10611728, Example ...)
Show SMILES COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H23Cl2NO2/c1-13(4-5-14-6-7-17(21)18(22)8-14)23-11-15-9-19(24-2)20(25-3)10-16(15)12-23/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1
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0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349547
PNG
(US10207991, Ex. Cpd. No. 62 | US10611728, Example ...)
Show SMILES CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
Show InChI InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50577481
PNG
(CHEMBL4865307)
Show SMILES COc1cc(CCC(C)NCc2ccc(cc2)C(F)(F)F)ccc1O
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349513
PNG
(US10207991, Ex. Cpd. No. 28 | US10611728, Example ...)
Show SMILES CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
Show InChI InChI=1S/C22H28FNO2/c1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24/h5-9,12,15,25H,10-11,13-14H2,1-4H3
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50577482
PNG
(CHEMBL4848550)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50577484
PNG
(CHEMBL4863873)
Show SMILES C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(cc1)C(F)(F)F |r|
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349324
PNG
(US10207991, Ex. Cpd. No. 8 | US10611728, Example C...)
Show SMILES COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
Show InChI InChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50577483
PNG
(CHEMBL4869437)
Show SMILES C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Sigma 2-receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Escherichia coli)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 280n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase (A2B2 tetramer) using relaxed pBR322 as substrate preincubated for 30 mins followed by enzyme addition by S...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.06.025
BindingDB Entry DOI: 10.7270/Q2JM2F2T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117067
PNG
(US8664230, 3)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(OC3CCOCC3)c2n1
Show InChI InChI=1S/C23H18ClF2N5O4S/c24-22-19(31-36(32,33)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(30-17)23(29-12-28-18)35-15-5-7-34-8-6-15/h1-4,9-12,15,31H,5-8H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117066
PNG
(US8664230, 2)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(OC3CCOCC3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117067
PNG
(US8664230, 3)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(OC3CCOCC3)c2n1
Show InChI InChI=1S/C23H18ClF2N5O4S/c24-22-19(31-36(32,33)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(30-17)23(29-12-28-18)35-15-5-7-34-8-6-15/h1-4,9-12,15,31H,5-8H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117065
PNG
(US8664230, 1)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(Oc3cccnc3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117067
PNG
(US8664230, 3)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(OC3CCOCC3)c2n1
Show InChI InChI=1S/C23H18ClF2N5O4S/c24-22-19(31-36(32,33)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(30-17)23(29-12-28-18)35-15-5-7-34-8-6-15/h1-4,9-12,15,31H,5-8H2
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The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117068
PNG
(US8664230, 4)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H21ClF2N6O3S/c1-33-8-6-16(7-9-33)36-24-22-19(29-13-30-24)4-3-18(31-22)14-10-20(23(25)28-12-14)32-37(34,35)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,32H,6-9H2,1H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117068
PNG
(US8664230, 4)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H21ClF2N6O3S/c1-33-8-6-16(7-9-33)36-24-22-19(29-13-30-24)4-3-18(31-22)14-10-20(23(25)28-12-14)32-37(34,35)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,32H,6-9H2,1H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117068
PNG
(US8664230, 4)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C24H21ClF2N6O3S/c1-33-8-6-16(7-9-33)36-24-22-19(29-13-30-24)4-3-18(31-22)14-10-20(23(25)28-12-14)32-37(34,35)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,32H,6-9H2,1H3
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The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117070
PNG
(US8664230, 6)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(NC3CCOCC3)c2n1
Show InChI InChI=1S/C23H19ClF2N6O3S/c24-22-19(32-36(33,34)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(31-17)23(29-12-28-18)30-15-5-7-35-8-6-15/h1-4,9-12,15,32H,5-8H2,(H,28,29,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117069
PNG
(US8664230, 5)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117066
PNG
(US8664230, 2)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(OC3CCOCC3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM117065
PNG
(US8664230, 1)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(Oc3cccnc3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117070
PNG
(US8664230, 6)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(NC3CCOCC3)c2n1
Show InChI InChI=1S/C23H19ClF2N6O3S/c24-22-19(32-36(33,34)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(31-17)23(29-12-28-18)30-15-5-7-35-8-6-15/h1-4,9-12,15,32H,5-8H2,(H,28,29,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM117069
PNG
(US8664230, 5)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117070
PNG
(US8664230, 6)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncnc(NC3CCOCC3)c2n1
Show InChI InChI=1S/C23H19ClF2N6O3S/c24-22-19(32-36(33,34)20-4-1-14(25)10-16(20)26)9-13(11-27-22)17-2-3-18-21(31-17)23(29-12-28-18)30-15-5-7-35-8-6-15/h1-4,9-12,15,32H,5-8H2,(H,28,29,30)
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117069
PNG
(US8664230, 5)
Show SMILES CN1CCC(CC1)Oc1ncnc2ccc(nc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C24H24N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h2-8,13-16,19,29H,9-12H2,1H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117065
PNG
(US8664230, 1)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(Oc3cccnc3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H16N6O3S/c30-33(31,19-6-2-1-3-7-19)29-17-11-16(12-25-13-17)20-8-9-21-22(28-20)23(27-15-26-21)32-18-5-4-10-24-14-18/h1-15,29H
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM117066
PNG
(US8664230, 2)
Show SMILES O=S(=O)(Nc1cncc(c1)-c1ccc2ncnc(OC3CCOCC3)c2n1)c1ccccc1
Show InChI InChI=1S/C23H21N5O4S/c29-33(30,19-4-2-1-3-5-19)28-17-12-16(13-24-14-17)20-6-7-21-22(27-20)23(26-15-25-21)32-18-8-10-31-11-9-18/h1-7,12-15,18,28H,8-11H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



The Asan Foundation

US Patent


Assay Description
The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinas...


US Patent US8664230 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K1R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577482
PNG
(CHEMBL4848550)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 4.40E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577483
PNG
(CHEMBL4869437)
Show SMILES C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50577484
PNG
(CHEMBL4863873)
Show SMILES C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(cc1)C(F)(F)F |r|
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n/an/an/an/a 780n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349368
PNG
(US10207991, Ex. Cpd. No. 11 | US10611728, Example ...)
Show SMILES COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H23Cl2NO2/c1-13(4-5-14-6-7-17(21)18(22)8-14)23-11-15-9-19(24-2)20(25-3)10-16(15)12-23/h6-10,13H,4-5,11-12H2,1-3H3/t13-/m1/s1
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n/an/an/an/a 290n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349324
PNG
(US10207991, Ex. Cpd. No. 8 | US10611728, Example C...)
Show SMILES COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
Show InChI InChI=1S/C19H22FNO2/c1-13(6-7-14-8-9-18(22)19(10-14)23-2)21-11-15-4-3-5-17(20)16(15)12-21/h3-5,8-10,13,22H,6-7,11-12H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349513
PNG
(US10207991, Ex. Cpd. No. 28 | US10611728, Example ...)
Show SMILES CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
Show InChI InChI=1S/C22H28FNO2/c1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24/h5-9,12,15,25H,10-11,13-14H2,1-4H3
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n/an/an/an/a 9.60E+3n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM349547
PNG
(US10207991, Ex. Cpd. No. 62 | US10611728, Example ...)
Show SMILES CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
Show InChI InChI=1S/C24H33NO4S/c1-23(2,3)29-22-13-17(7-10-21(22)26)11-12-24(4,5)25-15-18-8-9-20(30(6,27)28)14-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3
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n/an/an/an/a 2.60E+4n/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00048
BindingDB Entry DOI: 10.7270/Q21C21Q9
More data for this
Ligand-Target Pair