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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50042368   
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
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424917
PNG
(CHEMBL2311578)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424919
PNG
(CHEMBL2315422)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C26H27N5O3S2/c1-18-15-21(10-13-24(18)19-8-11-23(12-9-19)36(27,32)33)34-17-25-29-30-26(35-22-6-2-3-7-22)31(25)20-5-4-14-28-16-20/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H2,27,32,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424939
PNG
(CHEMBL2315430)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424938
PNG
(CHEMBL2315431)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424942
PNG
(CHEMBL2315427)
Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H27N5O3S/c1-34-31-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)35-18-25-29-30-27(36-24-6-2-3-7-24)32(25)22-5-4-16-28-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,31,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424941
PNG
(CHEMBL2315428)
Show SMILES OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H26N4O3S/c32-17-25(33)21-9-7-19(8-10-21)20-11-13-23(14-12-20)34-18-26-29-30-27(35-24-5-1-2-6-24)31(26)22-4-3-15-28-16-22/h3-4,7-16,24,32H,1-2,5-6,17-18H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424916
PNG
(CHEMBL2315424)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Show InChI InChI=1S/C28H28N4O2S/c1-19-16-24(13-14-26(19)22-11-9-21(10-12-22)20(2)33)34-18-27-30-31-28(35-25-7-3-4-8-25)32(27)23-6-5-15-29-17-23/h5-6,9-17,25H,3-4,7-8,18H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424918
PNG
(CHEMBL2315423)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Show InChI InChI=1S/C28H29N5O2S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)29-2)35-18-26-31-32-28(36-24-7-3-4-8-24)33(26)22-6-5-15-30-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,29,34)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424920
PNG
(CHEMBL2315421)
Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C
Show InChI InChI=1S/C28H29N5O3S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)32-35-2)36-18-26-30-31-28(37-24-7-3-4-8-24)33(26)22-6-5-15-29-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,32,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424937
PNG
(CHEMBL2315432)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H26N4O3S2/c1-35(31,32)24-14-10-20(11-15-24)19-8-12-22(13-9-19)33-18-25-28-29-26(34-23-6-2-3-7-23)30(25)21-5-4-16-27-17-21/h4-5,8-17,23H,2-3,6-7,18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424936
PNG
(CHEMBL2315433)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H26N4O2S/c1-19(32)20-8-10-21(11-9-20)22-12-14-24(15-13-22)33-18-26-29-30-27(34-25-6-2-3-7-25)31(26)23-5-4-16-28-17-23/h4-5,8-17,25H,2-3,6-7,18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424915
PNG
(CHEMBL2315425)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1
Show InChI InChI=1S/C27H26N4O2S/c1-19-15-23(12-13-25(19)21-10-8-20(17-32)9-11-21)33-18-26-29-30-27(34-24-6-2-3-7-24)31(26)22-5-4-14-28-16-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424921
PNG
(CHEMBL2315420)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H25N5OS/c1-19-15-23(12-13-25(19)21-10-8-20(16-28)9-11-21)33-18-26-30-31-27(34-24-6-2-3-7-24)32(26)22-5-4-14-29-17-22/h4-5,8-15,17,24H,2-3,6-7,18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424884
PNG
(CHEMBL2315450)
Show SMILES Fc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl
Show InChI InChI=1S/C19H18ClFN4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424940
PNG
(CHEMBL2315429)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C25H25N5O3S2/c26-35(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)33-17-24-28-29-25(34-22-5-1-2-6-22)30(24)20-4-3-15-27-16-20/h3-4,7-16,22H,1-2,5-6,17H2,(H2,26,31,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424883
PNG
(CHEMBL2315451)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H23N5OS/c27-16-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-29-30-26(33-24-5-1-2-6-24)31(25)22-4-3-15-28-17-22/h3-4,7-15,17,24H,1-2,5-6,18H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424882
PNG
(CHEMBL2315452)
Show SMILES Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl
Show InChI InChI=1S/C19H18Cl2N4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424881
PNG
(CHEMBL2315453)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br
Show InChI InChI=1S/C20H21BrN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424935
PNG
(CHEMBL2315434)
Show SMILES O=Cc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H24N4O2S/c31-17-19-7-9-20(10-8-19)21-11-13-23(14-12-21)32-18-25-28-29-26(33-24-5-1-2-6-24)30(25)22-4-3-15-27-16-22/h3-4,7-17,24H,1-2,5-6,18H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424880
PNG
(CHEMBL2315454)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl
Show InChI InChI=1S/C21H23ClN4OS/c1-14-10-17(11-15(2)20(14)22)27-13-19-24-25-21(28-18-7-3-4-8-18)26(19)16-6-5-9-23-12-16/h5-6,9-12,18H,3-4,7-8,13H2,1-2H3
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n/an/a 134n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424890
PNG
(CHEMBL2315444)
Show SMILES Clc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C19H19ClN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424879
PNG
(CHEMBL2315455)
Show SMILES Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1Cl
Show InChI InChI=1S/C20H21ClN4OS/c1-14-8-9-16(11-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424934
PNG
(CHEMBL2315435)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C25H23N5O3S/c31-30(32)20-11-7-18(8-12-20)19-9-13-22(14-10-19)33-17-24-27-28-25(34-23-5-1-2-6-23)29(24)21-4-3-15-26-16-21/h3-4,7-16,23H,1-2,5-6,17H2
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n/an/a 162n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424889
PNG
(CHEMBL2315445)
Show SMILES Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C19H19BrN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
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n/an/a 168n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424933
PNG
(CHEMBL2315436)
Show SMILES COc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H26N4O2S/c1-31-22-12-8-19(9-13-22)20-10-14-23(15-11-20)32-18-25-28-29-26(33-24-6-2-3-7-24)30(25)21-5-4-16-27-17-21/h4-5,8-17,24H,2-3,6-7,18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424878
PNG
(CHEMBL2315456)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Cl
Show InChI InChI=1S/C20H21ClN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
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n/an/a 184n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424887
PNG
(CHEMBL2315447)
Show SMILES Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C20H22N4OS/c1-15-8-10-17(11-9-15)25-14-19-22-23-20(26-18-6-2-3-7-18)24(19)16-5-4-12-21-13-16/h4-5,8-13,18H,2-3,6-7,14H2,1H3
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424945
PNG
(CHEMBL2315457)
Show SMILES Fc1cc(Br)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C19H18BrFN4OS/c20-13-8-14(21)10-16(9-13)26-12-18-23-24-19(27-17-5-1-2-6-17)25(18)15-4-3-7-22-11-15/h3-4,7-11,17H,1-2,5-6,12H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424944
PNG
(CHEMBL2315458)
Show SMILES Clc1cc(Cl)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C19H18Cl2N4OS/c20-13-8-14(21)10-16(9-13)26-12-18-23-24-19(27-17-5-1-2-6-17)25(18)15-4-3-7-22-11-15/h3-4,7-11,17H,1-2,5-6,12H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424932
PNG
(CHEMBL2315437)
Show SMILES Nc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C25H25N5OS/c26-20-11-7-18(8-12-20)19-9-13-22(14-10-19)31-17-24-28-29-25(32-23-5-1-2-6-23)30(24)21-4-3-15-27-16-21/h3-4,7-16,23H,1-2,5-6,17,26H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424896
PNG
(CHEMBL2315809)
Show SMILES Clc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C19H19ClN4OS/c20-14-5-3-7-16(11-14)25-13-18-22-23-19(26-17-8-1-2-9-17)24(18)15-6-4-10-21-12-15/h3-7,10-12,17H,1-2,8-9,13H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424895
PNG
(CHEMBL2315810)
Show SMILES Brc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C19H19BrN4OS/c20-14-5-3-7-16(11-14)25-13-18-22-23-19(26-17-8-1-2-9-17)24(18)15-6-4-10-21-12-15/h3-7,10-12,17H,1-2,8-9,13H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424891
PNG
(CHEMBL2315443)
Show SMILES COc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C20H22N4O2S/c1-25-16-7-4-8-17(12-16)26-14-19-22-23-20(27-18-9-2-3-10-18)24(19)15-6-5-11-21-13-15/h4-8,11-13,18H,2-3,9-10,14H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424925
PNG
(CHEMBL2315416)
Show SMILES CC(=O)c1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H26N4O2S/c1-19(32)24-10-4-5-11-25(24)20-12-14-22(15-13-20)33-18-26-29-30-27(34-23-8-2-3-9-23)31(26)21-7-6-16-28-17-21/h4-7,10-17,23H,2-3,8-9,18H2,1H3
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n/an/a 379n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424894
PNG
(CHEMBL2315811)
Show SMILES Fc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C19H19FN4OS/c20-14-5-3-7-16(11-14)25-13-18-22-23-19(26-17-8-1-2-9-17)24(18)15-6-4-10-21-12-15/h3-7,10-12,17H,1-2,8-9,13H2
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n/an/a 379n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424905
PNG
(CHEMBL2315800)
Show SMILES Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2ccccc2)cc1
Show InChI InChI=1S/C20H20BrN3OS/c21-15-10-12-17(13-11-15)25-14-19-22-23-20(26-18-8-4-5-9-18)24(19)16-6-2-1-3-7-16/h1-3,6-7,10-13,18H,4-5,8-9,14H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424943
PNG
(CHEMBL2315426)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1F
Show InChI InChI=1S/C20H21FN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424923
PNG
(CHEMBL2315418)
Show SMILES CC(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C27H26N4O2S/c1-19(32)21-6-4-7-22(16-21)20-11-13-24(14-12-20)33-18-26-29-30-27(34-25-9-2-3-10-25)31(26)23-8-5-15-28-17-23/h4-8,11-17,25H,2-3,9-10,18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424913
PNG
(CHEMBL2315792)
Show SMILES C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1cccnc1
Show InChI InChI=1S/C19H20N4OS/c1-2-8-16(9-3-1)24-14-18-21-22-19(25-17-10-4-5-11-17)23(18)15-7-6-12-20-13-15/h1-3,6-9,12-13,17H,4-5,10-11,14H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424931
PNG
(CHEMBL2315438)
Show SMILES Brc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C25H23BrN4OS/c26-20-11-7-18(8-12-20)19-9-13-22(14-10-19)31-17-24-28-29-25(32-23-5-1-2-6-23)30(24)21-4-3-15-27-16-21/h3-4,7-16,23H,1-2,5-6,17H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424893
PNG
(CHEMBL2315441)
Show SMILES Cc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-15-6-4-8-17(12-15)25-14-19-22-23-20(26-18-9-2-3-10-18)24(19)16-7-5-11-21-13-16/h4-8,11-13,18H,2-3,9-10,14H2,1H3
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n/an/a 524n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424926
PNG
(CHEMBL2315415)
Show SMILES N#Cc1ccccc1-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H23N5OS/c27-16-20-6-1-4-10-24(20)19-11-13-22(14-12-19)32-18-25-29-30-26(33-23-8-2-3-9-23)31(25)21-7-5-15-28-17-21/h1,4-7,10-15,17,23H,2-3,8-9,18H2
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n/an/a 536n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424885
PNG
(CHEMBL2315449)
Show SMILES COc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C20H22N4O2S/c1-25-16-8-10-17(11-9-16)26-14-19-22-23-20(27-18-6-2-3-7-18)24(19)15-5-4-12-21-13-15/h4-5,8-13,18H,2-3,6-7,14H2,1H3
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n/an/a 587n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424888
PNG
(CHEMBL2315446)
Show SMILES Fc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C19H19FN4OS/c20-14-7-9-16(10-8-14)25-13-18-22-23-19(26-17-5-1-2-6-17)24(18)15-4-3-11-21-12-15/h3-4,7-12,17H,1-2,5-6,13H2
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n/an/a 604n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424886
PNG
(CHEMBL2315448)
Show SMILES N#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C20H19N5OS/c21-12-15-7-9-17(10-8-15)26-14-19-23-24-20(27-18-5-1-2-6-18)25(19)16-4-3-11-22-13-16/h3-4,7-11,13,18H,1-2,5-6,14H2
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n/an/a 609n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424930
PNG
(CHEMBL2315439)
Show SMILES Fc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C25H23FN4OS/c26-20-11-7-18(8-12-20)19-9-13-22(14-10-19)31-17-24-28-29-25(32-23-5-1-2-6-23)30(24)21-4-3-15-27-16-21/h3-4,7-16,23H,1-2,5-6,17H2
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n/an/a 683n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424855
PNG
(CHEMBL2315462)
Show SMILES C(Oc1ccccc1)c1nnc(SC2CCCC2)n1-c1ccccc1
Show InChI InChI=1S/C20H21N3OS/c1-3-9-16(10-4-1)23-19(15-24-17-11-5-2-6-12-17)21-22-20(23)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2
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n/an/a 720n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424869
PNG
(CHEMBL2315782)
Show SMILES Clc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Show InChI InChI=1S/C20H20ClN3OS/c21-15-7-6-8-16(13-15)24-19(14-25-17-9-2-1-3-10-17)22-23-20(24)26-18-11-4-5-12-18/h1-3,6-10,13,18H,4-5,11-12,14H2
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424922
PNG
(CHEMBL2315419)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
Show InChI InChI=1S/C26H26N4O3S2/c1-35(31,32)24-10-4-6-20(16-24)19-11-13-22(14-12-19)33-18-25-28-29-26(34-23-8-2-3-9-23)30(25)21-7-5-15-27-17-21/h4-7,10-17,23H,2-3,8-9,18H2,1H3
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n/an/a 908n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50424868
PNG
(CHEMBL2315783)
Show SMILES Brc1cccc(c1)-n1c(COc2ccccc2)nnc1SC1CCCC1
Show InChI InChI=1S/C20H20BrN3OS/c21-15-7-6-8-16(13-15)24-19(14-25-17-9-2-1-3-10-17)22-23-20(24)26-18-11-4-5-12-18/h1-3,6-10,13,18H,4-5,11-12,14H2
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n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ...


J Med Chem 56: 437-50 (2013)


Article DOI: 10.1021/jm3013213
BindingDB Entry DOI: 10.7270/Q21Z45QK
More data for this
Ligand-Target Pair
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