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Compile Data Set for Download or QSAR

Found 389 hits with Last Name = 'kenney' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35226
PNG
((S,S)-reboxetine | Reboxetine | Vestra)
Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
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PubMed
0.300 -56.5n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35255
PNG
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)
Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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0.600 -54.8n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES CN1CCN2[C@H](C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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PubMed
6 -48.8n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35230
PNG
(indole, 14)
Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(17-11-7-6-10-16(14)17)19(18(22)12-20-2)15-8-4-3-5-9-15/h3-11,13,18-20,22H,12H2,1-2H3/t18-,19+/m1/s1
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9 -47.8n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35228
PNG
(CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...)
Show SMILES CNCCCC12CCC(c3ccccc13)c1ccccc21
Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
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12 -47.0n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35252
PNG
(3-(phenylsulfonyl)-1H-indole, 33b)
Show SMILES CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-15(2)21-13-7-9-16-8-6-12-18-20(16)19(14-22-18)25(23,24)17-10-4-3-5-11-17/h3-6,8,10-12,14-15,21-22H,7,9,13H2,1-2H3
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13 -46.8 12n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35245
PNG
(3-(phenylsulfonyl)-1H-indole, 18g)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2
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19n/a 31n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35251
PNG
(3-(phenylsulfonyl)-1H-indole, 33a)
Show SMILES CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-3-22(2)14-8-10-16-9-7-13-18-20(16)19(15-21-18)25(23,24)17-11-5-4-6-12-17/h4-7,9,11-13,15,21H,3,8,10,14H2,1-2H3
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21 -45.6 29n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35244
PNG
(3-(phenylsulfonyl)-1H-indole, 18f)
Show SMILES CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3
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25 -45.1 51n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35247
PNG
(3-(phenylsulfonyl)-1H-indole, 18i)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
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27 -44.9 47n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35232
PNG
(3-(phenylsulfonyl)-1H-indole, 18b)
Show SMILES CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
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28 -44.8 49n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35248
PNG
(3-(phenylsulfonyl)-1H-indole, 18j)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-10-4-3-5-11-19)21-17-23-20-12-8-9-18(22(20)21)13-16-24-14-6-1-2-7-15-24/h3-5,8-12,17,23H,1-2,6-7,13-16H2
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33n/a 69n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35231
PNG
(3-(phenylsulfonyl)-1H-indole, 18a)
Show SMILES CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
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45 -43.6 80n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35250
PNG
(3-(phenylsulfonyl)-1H-indole, 18l)
Show SMILES CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
Show InChI InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3
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46n/a 57n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35247
PNG
(3-(phenylsulfonyl)-1H-indole, 18i)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
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59n/a 180n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35246
PNG
(3-(phenylsulfonyl)-1H-indole, 18h)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2
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73 -42.4 128n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35242
PNG
(3-(phenylsulfonyl)-1H-indole, 18d)
Show SMILES CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-2-19-12-11-14-7-6-10-16-18(14)17(13-20-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19-20H,2,11-12H2,1H3
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78 -42.2 146n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35249
PNG
(3-(phenylsulfonyl)-1H-indole, 18k)
Show SMILES CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3
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PubMed
89n/a 92n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35244
PNG
(3-(phenylsulfonyl)-1H-indole, 18f)
Show SMILES CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3
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PubMed
110n/a 650n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35246
PNG
(3-(phenylsulfonyl)-1H-indole, 18h)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2
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117n/a 258n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35249
PNG
(3-(phenylsulfonyl)-1H-indole, 18k)
Show SMILES CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3
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PubMed
125 -41.0 116n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35248
PNG
(3-(phenylsulfonyl)-1H-indole, 18j)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-10-4-3-5-11-19)21-17-23-20-12-8-9-18(22(20)21)13-16-24-14-6-1-2-7-15-24/h3-5,8-12,17,23H,1-2,6-7,13-16H2
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PubMed
208 -39.7 221n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35232
PNG
(3-(phenylsulfonyl)-1H-indole, 18b)
Show SMILES CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
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PubMed
222n/a 832n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35231
PNG
(3-(phenylsulfonyl)-1H-indole, 18a)
Show SMILES CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
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PubMed
262n/a 459n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35241
PNG
(3-(phenylsulfonyl)-1H-indole, 18c)
Show SMILES CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O2S/c1-18-11-10-13-6-5-9-15-17(13)16(12-19-15)22(20,21)14-7-3-2-4-8-14/h2-9,12,18-19H,10-11H2,1H3
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273n/a 1.11E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35241
PNG
(3-(phenylsulfonyl)-1H-indole, 18c)
Show SMILES CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O2S/c1-18-11-10-13-6-5-9-15-17(13)16(12-19-15)22(20,21)14-7-3-2-4-8-14/h2-9,12,18-19H,10-11H2,1H3
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PubMed
306 -38.7 353n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35243
PNG
(3-(phenylsulfonyl)-1H-indole, 18e)
Show SMILES CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-2-12-20-13-11-15-7-6-10-17-19(15)18(14-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,14,20-21H,2,11-13H2,1H3
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PubMed
367n/a 1.08E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35242
PNG
(3-(phenylsulfonyl)-1H-indole, 18d)
Show SMILES CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-2-19-12-11-14-7-6-10-16-18(14)17(13-20-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19-20H,2,11-12H2,1H3
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PubMed
389n/a 1.03E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35245
PNG
(3-(phenylsulfonyl)-1H-indole, 18g)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2
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428 -37.8 460n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM35247
PNG
(3-(phenylsulfonyl)-1H-indole, 18i)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
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434n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35243
PNG
(3-(phenylsulfonyl)-1H-indole, 18e)
Show SMILES CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-2-12-20-13-11-15-7-6-10-17-19(15)18(14-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,14,20-21H,2,11-13H2,1H3
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PubMed
487 -37.5 302n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35252
PNG
(3-(phenylsulfonyl)-1H-indole, 33b)
Show SMILES CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-15(2)21-13-7-9-16-8-6-12-18-20(16)19(14-22-18)25(23,24)17-10-4-3-5-11-17/h3-6,8,10-12,14-15,21-22H,7,9,13H2,1-2H3
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PubMed
619n/a 5.98E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35251
PNG
(3-(phenylsulfonyl)-1H-indole, 33a)
Show SMILES CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-3-22(2)14-8-10-16-9-7-13-18-20(16)19(15-21-18)25(23,24)17-11-5-4-6-12-17/h4-7,9,11-13,15,21H,3,8,10,14H2,1-2H3
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PubMed
713n/a 477n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35240
PNG
(3-(phenylsulfonyl)-1H-indole, 18m)
Show SMILES NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2
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PubMed
792 -36.2 960n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35253
PNG
(3-(phenylsulfonyl)-1H-indole, 33c)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,17,23H,2,5-6,8,10,14-16H2
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PubMed
854n/a 7.97E+3n/an/an/an/an/an/a



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] ketanserin binding to membranes from CHO cells, stably transfected with the human 5-HT2A receptor. Da...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35253
PNG
(3-(phenylsulfonyl)-1H-indole, 33c)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,17,23H,2,5-6,8,10,14-16H2
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PubMed
1.03E+3 -35.5 707n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35250
PNG
(3-(phenylsulfonyl)-1H-indole, 18l)
Show SMILES CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
Show InChI InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3
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PubMed
1.13E+3 -35.3 1.09E+3n/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM35247
PNG
(3-(phenylsulfonyl)-1H-indole, 18i)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
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2.40E+3n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo...


Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50501399
PNG
(CHEMBL4100135)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16ClN7O2/c1-11(27-19-14(9-23)18(24)25-10-26-19)20-28-16-4-2-3-15(22)17(16)21(31)29(20)12-5-7-13(30)8-6-12/h2-8,10-11,30H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168484
PNG
(CHEMBL3805137 | US9765060, Compound Y)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-14(10-23)18(24)25-11-26-19)20-28-16-9-5-8-15(22)17(16)21(30)29(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50501400
PNG
(CHEMBL4082130)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C18H14ClN9O/c1-9(25-16-10(7-20)15(21)22-8-23-16)17-26-12-4-2-3-11(19)14(12)18(29)28(17)13-5-6-24-27-13/h2-6,8-9H,1H3,(H,24,27)(H3,21,22,23,25)/t9-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50501403
PNG
(CHEMBL4084645)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H17ClN10O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-22)16(23)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H5,23,24,27,28,29)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50501408
PNG
(CHEMBL4081433)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H16ClFN10O/c21-12-6-9(22)5-10-15(12)28-18(32(19(10)33)13-3-4-26-31-13)14(8-1-2-8)27-17-11(7-23)16(24)29-20(25)30-17/h3-6,8,14H,1-2H2,(H,26,31)(H5,24,25,27,29,30)/t14-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501399
PNG
(CHEMBL4100135)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16ClN7O2/c1-11(27-19-14(9-23)18(24)25-10-26-19)20-28-16-4-2-3-15(22)17(16)21(31)29(20)12-5-7-13(30)8-6-12/h2-8,10-11,30H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501408
PNG
(CHEMBL4081433)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H16ClFN10O/c21-12-6-9(22)5-10-15(12)28-18(32(19(10)33)13-3-4-26-31-13)14(8-1-2-8)27-17-11(7-23)16(24)29-20(25)30-17/h3-6,8,14H,1-2H2,(H,26,31)(H5,24,25,27,29,30)/t14-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01821
BindingDB Entry DOI: 10.7270/Q2BV7KNJ
More data for this
Ligand-Target Pair
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