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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'chessum' and Initial = 'ne'   
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
Pirin


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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28n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Pirin


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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190n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305900
PNG
((+)-2-((1S,5S,6R)-6-(aminomethyl)bicyclo[3.2.0]hep...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@@H]2CCC[C@H]12
Show InChI InChI=1/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8-,10-/s2
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 19n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 19n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305887
PNG
(3,4-trans-2-(1-(aminomethyl)-3,4-dimethylcyclopent...)
Show SMILES C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C
Show InChI InChI=1/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/s2
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305894
PNG
((+/-)-2-((6S)-6-(aminomethyl)bicyclo[3.2.0]heptan-...)
Show SMILES NC[C@]1(CC(O)=O)CC2CCCC12
Show InChI InChI=1/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7?,8?,10-/s2
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304703
PNG
(2-((3R)-1-(aminomethyl)-3-propylcyclopentyl)acetic...)
Show SMILES CCC[C@@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/s2
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304707
PNG
(2-((1R,3R)-1-(aminomethyl)-3-methylcyclopentyl)ace...)
Show SMILES C[C@@H]1CC[C@](CN)(CC(O)=O)C1
Show InChI InChI=1/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9-/s2
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305885
PNG
(CHEMBL595172 | cis-2-((1R,5S)-3-(aminomethyl)bicyc...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@@H]2CC[C@@H]2C1
Show InChI InChI=1/C10H17NO2/c11-6-10(5-9(12)13)3-7-1-2-8(7)4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10-
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305899
PNG
((-)-2-((1R,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hep...)
Show SMILES NC[C@]1(CC(O)=O)C[C@H]2CCC[C@@H]12
Show InChI InChI=1/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8-,10-/s2
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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n/an/a 51n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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n/an/a 51n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304702
PNG
(2-((3R)-1-(aminomethyl)-3-ethylcyclopentyl)acetic ...)
Show SMILES CC[C@@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/s2
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n/an/a 53n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304693
PNG
(2-(1-(aminomethyl)-3-ethylcyclopentyl)acetic acid ...)
Show SMILES CCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 68n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 68n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304694
PNG
(2-(1-(aminomethyl)-3-propylcyclopentyl)acetic acid...)
Show SMILES CCCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)
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n/an/a 69n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304708
PNG
(2-((1S,3R)-1-(aminomethyl)-3-methylcyclopentyl)ace...)
Show SMILES C[C@@H]1CC[C@@](CN)(CC(O)=O)C1
Show InChI InChI=1/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9+/s2
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n/an/a 71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/s2
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304692
PNG
(2-(1-(aminomethyl)-3-methylcyclopentyl)acetic acid...)
Show SMILES CC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304701
PNG
(2-((3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic...)
Show SMILES C[C@@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/s2
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305886
PNG
(2-((3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl...)
Show SMILES C[C@H]1C[C@](CN)(CC(O)=O)C[C@H]1C
Show InChI InChI=1/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8+,10+
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n/an/a 107n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
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n/an/a 115n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
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n/an/a 120n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50080153
PNG
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)
Show SMILES NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 220n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305884
PNG
(CHEMBL609569 | cis-2-((1R,5S)-3-(aminomethyl)bicyc...)
Show SMILES NC[C@]1(CC(O)=O)C[C@@H]2CC[C@@H]2C1
Show InChI InChI=1/C10H17NO2/c11-6-10(5-9(12)13)3-7-1-2-8(7)4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10+
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n/an/a 332n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 417n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant GST-tagged BRAF (S429 to E741 residues) expressed in baculovirus expression system using Ser/Thr 03 mixtu...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304691
PNG
(CHEMBL610734 | Gababutin)
Show SMILES NCC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C8H15NO2/c9-6-8(5-7(10)11)3-1-2-4-8/h1-6,9H2,(H,10,11)
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n/an/a 420n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 420n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant GST-tagged BRAF (S429 to E741 residues) expressed in baculovirus expression system using Ser/Thr 03 mixtu...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 447n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 450n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305897
PNG
((+/-)-2-((7S)-7-(aminomethyl)bicyclo[4.2.0]octan-7...)
Show SMILES NC[C@]1(CC(O)=O)CC2CCCCC12
Show InChI InChI=1/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9?,11-/s2
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304695
PNG
(2-(1-(aminomethyl)-3-butylcyclopentyl)acetic acid ...)
Show SMILES CCCCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C12H23NO2/c1-2-3-4-10-5-6-12(7-10,9-13)8-11(14)15/h10H,2-9,13H2,1H3,(H,14,15)
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n/an/a 690n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304705
PNG
(2-((3S)-1-(aminomethyl)-3-ethylcyclopentyl)acetic ...)
Show SMILES CC[C@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/s2
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n/an/a 706n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50305892
PNG
(2-((2R,3aR)-2-(aminomethyl)octahydro-1H-inden-2-yl...)
Show SMILES NC[C@]1(CC(O)=O)C[C@H]2CCCC[C@H]2C1
Show InChI InChI=1/C12H21NO2/c13-8-12(7-11(14)15)5-9-3-1-2-4-10(9)6-12/h9-10H,1-8,13H2,(H,14,15)/t9-,10+,12-
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n/an/a 720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304696
PNG
(2-(1-(aminomethyl)-3-isobutylcyclopentyl)acetic ac...)
Show SMILES CC(C)CC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C12H23NO2/c1-9(2)5-10-3-4-12(6-10,8-13)7-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)
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n/an/a 760n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304706
PNG
(2-((3S)-1-(aminomethyl)-3-propylcyclopentyl)acetic...)
Show SMILES CCC[C@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50304704
PNG
(2-((3S)-1-(aminomethyl)-3-methylcyclopentyl)acetic...)
Show SMILES C[C@H]1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234072
PNG
(CHEMBL4099031)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 2.57E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
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