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Compile Data Set for Download or QSAR

Found 548 hits with Last Name = 'douault' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2B


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to TAF1L (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to CECR2 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF3 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRPF1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan panel based assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348457
PNG
(CHEMBL1801207)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC1
Show InChI InChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348456
PNG
(CHEMBL1801206)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1
Show InChI InChI=1S/C19H23N5O/c1-4-25-16-9-7-15(8-10-16)24-14(3)17-13(2)20-21-19(18(17)22-24)23-11-5-6-12-23/h7-10H,4-6,11-12H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348465
PNG
(CHEMBL1801177)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11,20H2,1-3H3/t14-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348474
PNG
(CHEMBL1801186)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C19H22FN5O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348473
PNG
(CHEMBL1801185)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1OC(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O/c1-10-15-11(2)27(13-6-5-12(19)9-14(13)28-18(20,21)22)25-16(15)17(24-23-10)26-7-3-4-8-26/h5-6,9H,3-4,7-8H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419265
PNG
(CHEMBL1835069)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348466
PNG
(CHEMBL1801178)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348468
PNG
(CHEMBL1801180)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC
Show InChI InChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348467
PNG
(CHEMBL1801179)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](C1)OC |r|
Show InChI InChI=1S/C20H25N5O2/c1-5-27-16-8-6-15(7-9-16)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-10-17(12-24)26-4/h6-9,17H,5,10-12H2,1-4H3/t17-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348478
PNG
(CHEMBL1801205)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N(C)C
Show InChI InChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348455
PNG
(CHEMBL1801192)
Show SMILES CCOc1ccc(c(F)c1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC
Show InChI InChI=1S/C19H22FN5O2/c1-5-27-13-6-7-16(15(20)8-13)25-12(3)17-11(2)21-22-19(18(17)23-25)24-9-14(10-24)26-4/h6-8,14H,5,9-10H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348454
PNG
(CHEMBL1801191)
Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1OC(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O2/c1-9-15-10(2)27(13-5-4-11(19)6-14(13)29-18(20,21)22)25-16(15)17(24-23-9)26-7-12(8-26)28-3/h4-6,12H,7-8H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50348465
PNG
(CHEMBL1801177)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11,20H2,1-3H3/t14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419258
PNG
(CHEMBL1835070)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348470
PNG
(CHEMBL1801182)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N5O/c1-12-16-13(2)27(14-5-7-15(8-6-14)28-11-19(20,21)22)25-17(16)18(24-23-12)26-9-3-4-10-26/h5-8H,3-4,9-11H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (Human))
BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50348456
PNG
(CHEMBL1801206)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1
Show InChI InChI=1S/C19H23N5O/c1-4-25-16-9-7-15(8-10-16)24-14(3)17-13(2)20-21-19(18(17)22-24)23-11-5-6-12-23/h7-10H,4-6,11-12H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348458
PNG
(CHEMBL1801208)
Show SMILES CCOc1ccc(cc1)-n1nc2c(NC)nnc(C)c2c1C
Show InChI InChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348460
PNG
(CHEMBL1801210)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCCCC1
Show InChI InChI=1S/C21H27N5O/c1-4-27-18-11-9-17(10-12-18)26-16(3)19-15(2)22-23-21(20(19)24-26)25-13-7-5-6-8-14-25/h9-12H,4-8,13-14H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419263
PNG
(CHEMBL1835057)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCNC3)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348475
PNG
(CHEMBL1801187)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(F)(F)C1
Show InChI InChI=1S/C19H21F2N5O/c1-4-27-15-7-5-14(6-8-15)26-13(3)16-12(2)22-23-18(17(16)24-26)25-10-9-19(20,21)11-25/h5-8H,4,9-11H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348472
PNG
(CHEMBL1801184)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348464
PNG
(CHEMBL1801176)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(O)CC1
Show InChI InChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098301
PNG
(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348453
PNG
(CHEMBL1801188)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CC[C@@H](F)C1)-c1ccc(OCC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F4N5O/c1-11-16-12(2)28(14-3-5-15(6-4-14)29-10-19(21,22)23)26-17(16)18(25-24-11)27-8-7-13(20)9-27/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50419247
PNG
(CHEMBL1835071 | US8470835, 1)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r|
Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348471
PNG
(CHEMBL1801183)
Show SMILES CC(C)Oc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1
Show InChI InChI=1S/C20H25N5O/c1-13(2)26-17-9-7-16(8-10-17)25-15(4)18-14(3)21-22-20(19(18)23-25)24-11-5-6-12-24/h7-10,13H,5-6,11-12H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098251
PNG
(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1 |r|
Show InChI InChI=1/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153322
PNG
(CHEMBL3775612)
Show SMILES OC(=O)c1ccncc1NCc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153318
PNG
(CHEMBL3775237)
Show SMILES OC(=O)c1ccncc1NCc1ccco1
Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348459
PNG
(CHEMBL1801209)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCCC1
Show InChI InChI=1S/C20H25N5O/c1-4-26-17-10-8-16(9-11-17)25-15(3)18-14(2)21-22-20(19(18)23-25)24-12-6-5-7-13-24/h8-11H,4-7,12-13H2,1-3H3
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n/an/a 42n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50098307
PNG
(CHEMBL3590407)
Show SMILES CCc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cncc(C)c1 |r|
Show InChI InChI=1S/C26H29NO/c1-4-25(22-13-9-6-10-14-22)26(19-21-11-7-5-8-12-21)23-15-17-24(18-16-23)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay


J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50153319
PNG
(CHEMBL3775889)
Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...


J Med Chem 59: 1357-69 (2016)


BindingDB Entry DOI: 10.7270/Q2542QFT
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50348463
PNG
(CHEMBL1801213)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCNCC1
Show InChI InChI=1S/C20H26N6O/c1-4-27-17-8-6-16(7-9-17)26-15(3)18-14(2)22-23-20(19(18)24-26)25-12-5-10-21-11-13-25/h6-9,21H,4-5,10-13H2,1-3H3
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta1


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50348457
PNG
(CHEMBL1801207)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC1
Show InChI InChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
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