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Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'giese' and Initial = 'b'   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240973
PNG
(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
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8.10n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240989
PNG
(CHEMBL4081904)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
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9.70n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240991
PNG
(CHEMBL4092165)
Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
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13n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240975
PNG
(CHEMBL4084907)
Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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17n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240992
PNG
(CHEMBL4097282)
Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
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46n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240977
PNG
(CHEMBL4071150)
Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
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61n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240975
PNG
(CHEMBL4084907)
Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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62n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240992
PNG
(CHEMBL4097282)
Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)
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106n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240984
PNG
(CHEMBL4068426)
Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
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110n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240984
PNG
(CHEMBL4068426)
Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)
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123n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240983
PNG
(CHEMBL4079258)
Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)
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185n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240973
PNG
(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
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203n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240991
PNG
(CHEMBL4092165)
Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
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224n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240976
PNG
(CHEMBL4098203)
Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
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241n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240995
PNG
(CHEMBL4071370)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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284n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240985
PNG
(CHEMBL4089567)
Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
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396n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240977
PNG
(CHEMBL4071150)
Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
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609n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240993
PNG
(CHEMBL4074098)
Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)
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689n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240983
PNG
(CHEMBL4079258)
Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)
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911n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240976
PNG
(CHEMBL4098203)
Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)
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1.21E+3n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240989
PNG
(CHEMBL4081904)
Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)
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1.21E+3n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240985
PNG
(CHEMBL4089567)
Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
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1.51E+3n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240994
PNG
(CHEMBL4099904)
Show SMILES Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N6O3/c18-17(19,20)12-9-13(27)21-10-11(12)14-22-15(25-1-5-28-6-2-25)24-16(23-14)26-3-7-29-8-4-26/h9-10H,1-8H2,(H,21,27)
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2.30E+3n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240993
PNG
(CHEMBL4074098)
Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)
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2.54E+3n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240988
PNG
(CHEMBL4100862)
Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2
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3.28E+4n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240988
PNG
(CHEMBL4100862)
Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2
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PubMed
1.10E+5n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50240987
PNG
(CHEMBL4062723)
Show SMILES FC(F)(F)c1cc(Br)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H18BrF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2
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PubMed
6.60E+5n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50240995
PNG
(CHEMBL4071370)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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4.30E+6n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542881
PNG
(3-((2-(6-ethoxypyridin-3-yl)-8-methoxy-2,3- dihydr...)
Show SMILES CCOc1ccc(cn1)C1COc2cc(Cc3c[nH]c4ncccc34)cc(OC)c2O1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542862
PNG
(4-(3-((2-(4-(difluoromethoxy)phenyl)-8-methoxy-2,3...)
Show SMILES COc1cc(Cc2cnc3cc(cnn23)C#CC(C)(C)N)cc2OCC(Oc12)c1ccc(OC(F)F)cc1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542975
PNG
(3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)ben...)
Show SMILES COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C#CC3CCNC3)cc2OC)cn1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542847
PNG
(3-((2-(6-ethylpyridin-3-yl)-8-methoxy-2,3- dihydro...)
Show SMILES CCc1ccc(cn1)C1COc2cc(Cc3cnn4cc(OC)cnc34)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542824
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3c[nH]c4ncccc34)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542819
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)N3CCOCC3)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542818
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)C#CC(C)(C)N)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542551
PNG
(3-((2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]di...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cnn(C)c3)ccc2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542814
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnn4cc(cnc34)N3CCOCC3)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542815
PNG
(6-methoxy-3-((8-methoxy-2-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1cnc2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnn2c1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542791
PNG
((S)-6-(difluoromethyl)-3-((8-methoxy-2-(6-methoxyp...)
Show SMILES COc1ccc(cn1)[C@H]1COc2cc(Cn3cnc4cc(cnc34)C(F)F)cc(OC)c2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542813
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COC1CN(C1)c1cnc2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnn2c1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542721
PNG
(4-(3-((2-(6-methoxypyridin-3-yl)-2,3- dihydrobenzo...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)C#CC(C)(C)N)ccc2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542519
PNG
((R)-4-(3-((2-(4-methoxyphenyl)-2,3- imidazo[4,5-b]...)
Show SMILES COc1ccc(cc1)[C@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542518
PNG
((S)-4-(3-((2-(4-methoxyphenyl)-2,3- imidazo[4,5-b]...)
Show SMILES COc1ccc(cc1)[C@@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542974
PNG
(3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)ben...)
Show SMILES COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C#CC3CCCNC3)cc2OC)cn1
PDB

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542516
PNG
(4-(1-((2-(4-methoxyphenyl)-2,3- dihydrobenzo[b][1,...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(ccc34)C#CC(C)(C)N)ccc2O1
PDB

UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542816
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnn4cc(OC5CN(C)C5)cnc34)cc(OC)c2O1
PDB

UniProtKB/SwissProt

antibodypedia
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542820
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COC1CN(C1)c1cnn2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnc2c1
PDB

UniProtKB/SwissProt

antibodypedia
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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542848
PNG
(3-((2-(6-ethylpyridin-3-yl)-8-methoxy-2,3- dihydro...)
Show SMILES CCc1ccc(cn1)C1COc2cc(Cc3cnn4cc(cnc34)N3CC(C3)OC)cc(OC)c2O1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542753
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cnn(C)c3)cc(OC)c2O1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542777
PNG
(6-(1,3-dimethyl-1H-pyrazol-4-yl)-3-((8-methoxy-2-(...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cn(C)nc3C)cc(OC)c2O1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
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