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PubMed code 25474526

Compile data set for download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
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))		BDBM50040551
PNG
(CHEMBL3361184)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.31,-57.24,;35.98,-58.01,;35.98,-59.55,;34.65,-57.24,;33.31,-58.01,;31.98,-57.24,;31.98,-55.7,;30.64,-54.93,;30.64,-53.39,;29.31,-52.62,;27.98,-53.39,;26.64,-52.62,;25.31,-53.39,;25.31,-54.93,;23.97,-55.7,;23.97,-57.24,;22.64,-58.01,;21.31,-57.24,;21.31,-55.7,;22.64,-54.93,;26.64,-51.08,;27.98,-50.31,;29.31,-51.08,;27.98,-48.77,;26.64,-48,;26.64,-46.46,;27.98,-45.69,;29.31,-46.46,;29.31,-48,;33.31,-54.93,;34.65,-55.7,)|
Show InChI InChI=1S/C25H28N4O2/c30-24(31)21-13-11-19(12-14-21)17-27-25-28-22(20-9-5-2-6-10-20)15-23(29-25)26-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,30,31)(H2,26,27,28,29)/t19-,21-
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n/an/a 27n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040550
PNG
(CHEMBL3361185)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-56.65,;57.96,-57.42,;57.96,-58.96,;56.63,-56.65,;55.29,-57.42,;53.96,-56.65,;53.96,-55.11,;52.62,-54.34,;51.29,-55.11,;49.96,-54.34,;49.96,-52.8,;48.62,-52.03,;48.62,-50.49,;49.96,-49.72,;49.96,-48.18,;51.29,-47.41,;52.62,-48.18,;52.62,-49.72,;51.29,-50.49,;47.29,-52.8,;47.29,-54.34,;48.62,-55.11,;45.95,-55.11,;45.95,-56.65,;44.62,-57.42,;43.29,-56.65,;43.29,-55.11,;44.62,-54.34,;55.29,-54.34,;56.63,-55.11,)|
Show InChI InChI=1S/C24H26N4O2/c29-23(30)19-13-11-17(12-14-19)16-25-24-27-21(18-7-3-1-4-8-18)15-22(28-24)26-20-9-5-2-6-10-20/h1-10,15,17,19H,11-14,16H2,(H,29,30)(H2,25,26,27,28)/t17-,19-
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n/an/a 36n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040513
PNG
(CHEMBL3361210)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2F)CC1 |r,wU:3.2,wD:6.6,(46.52,-53.26,;47.86,-54.03,;47.86,-55.57,;49.2,-53.26,;49.2,-51.72,;50.53,-50.95,;51.86,-51.72,;53.2,-50.95,;54.53,-51.72,;55.86,-50.95,;55.86,-49.41,;57.2,-48.64,;57.2,-47.1,;55.86,-46.33,;55.86,-44.79,;54.53,-44.02,;54.53,-42.48,;55.86,-41.71,;57.2,-42.48,;57.2,-44.02,;58.53,-49.41,;58.53,-50.95,;57.2,-51.72,;59.86,-51.72,;59.86,-53.26,;61.2,-54.03,;62.53,-53.26,;62.53,-51.72,;61.2,-50.95,;61.2,-49.41,;51.86,-53.26,;50.53,-54.03,)|
Show InChI InChI=1S/C25H28FN5O/c26-21-9-5-4-8-20(21)22-14-23(28-15-17-6-2-1-3-7-17)31-25(30-22)29-16-18-10-12-19(13-11-18)24(27)32/h1-9,14,18-19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,19-
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n/an/a 46n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040506
PNG
(CHEMBL3361216)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:28.33,wD:25.26,(48.05,-32.43,;49.39,-31.66,;49.39,-30.12,;50.72,-32.43,;52.05,-31.66,;53.38,-32.43,;54.72,-31.66,;54.72,-30.12,;53.38,-29.35,;52.05,-30.12,;56.05,-29.35,;56.05,-27.81,;57.39,-27.04,;57.39,-25.5,;58.72,-24.73,;58.72,-23.19,;57.39,-22.42,;57.39,-20.88,;58.72,-20.11,;60.05,-20.88,;60.05,-22.42,;58.72,-27.81,;58.72,-29.35,;60.05,-30.12,;61.38,-29.35,;62.72,-30.12,;62.72,-31.66,;64.06,-32.43,;65.38,-31.66,;65.38,-30.12,;64.06,-29.35,;66.72,-32.43,;68.06,-31.66,;66.72,-33.97,;57.39,-30.12,)|
Show InChI InChI=1S/C27H32N6O2/c1-18(34)31-23-13-11-21(12-14-23)24-15-25(29-16-19-5-3-2-4-6-19)33-27(32-24)30-17-20-7-9-22(10-8-20)26(28)35/h2-6,11-15,20,22H,7-10,16-17H2,1H3,(H2,28,35)(H,31,34)(H2,29,30,32,33)/t20-,22-
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n/an/a 59n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040557
PNG
(CHEMBL3361178)
Show SMILES Nc1ccc(cc1[N+]([O-])=O)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.21,-28.81,;24.55,-28.04,;24.55,-26.5,;25.88,-25.73,;27.22,-26.5,;27.22,-28.04,;25.88,-28.81,;25.88,-30.35,;27.22,-31.12,;24.55,-31.12,;28.55,-25.73,;28.55,-24.19,;29.89,-23.42,;31.21,-24.19,;31.21,-25.73,;32.55,-26.5,;33.89,-25.73,;35.22,-26.5,;35.22,-28.04,;36.55,-28.81,;37.89,-28.04,;37.89,-26.5,;36.55,-25.73,;39.22,-28.81,;40.55,-28.04,;39.22,-30.35,;29.89,-26.5,;29.89,-21.88,;28.55,-21.11,;28.55,-19.57,;29.89,-18.8,;31.21,-19.57,;31.21,-21.11,)|
Show InChI InChI=1S/C24H25N5O4/c25-19-11-10-18(12-22(19)29(32)33)21-13-20(16-4-2-1-3-5-16)27-24(28-21)26-14-15-6-8-17(9-7-15)23(30)31/h1-5,10-13,15,17H,6-9,14,25H2,(H,30,31)(H,26,27,28)/t15-,17-
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n/an/a 60n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040499
PNG
(CHEMBL3361223)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cc3ccccc3o2)CC1 |r,wU:3.2,wD:6.6,(30.81,-47.63,;31.58,-48.97,;33.12,-48.97,;30.81,-50.31,;31.58,-51.63,;30.81,-52.97,;29.27,-52.97,;28.5,-54.3,;29.27,-55.64,;28.5,-56.97,;26.96,-56.97,;26.19,-58.31,;24.65,-58.31,;23.88,-56.97,;22.34,-56.97,;21.57,-58.31,;20.03,-58.31,;19.26,-56.97,;20.03,-55.64,;21.57,-55.64,;26.96,-59.64,;28.5,-59.64,;29.27,-58.31,;29.27,-60.97,;28.64,-62.38,;29.79,-63.41,;29.79,-64.95,;31.12,-65.72,;32.46,-64.95,;32.46,-63.41,;31.12,-62.64,;30.8,-61.13,;28.5,-51.63,;29.27,-50.31,)|
Show InChI InChI=1S/C27H29N5O2/c28-26(33)20-12-10-19(11-13-20)17-30-27-31-22(24-14-21-8-4-5-9-23(21)34-24)15-25(32-27)29-16-18-6-2-1-3-7-18/h1-9,14-15,19-20H,10-13,16-17H2,(H2,28,33)(H2,29,30,31,32)/t19-,20-
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n/an/a 61n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040498
PNG
(CHEMBL3361224)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ncc3c2)CC1 |r,wU:3.2,wD:6.6,(43.88,-48.16,;45.2,-48.93,;46.54,-48.16,;45.2,-50.47,;46.54,-51.24,;46.54,-52.78,;45.2,-53.55,;45.2,-55.09,;43.88,-55.86,;43.88,-57.4,;45.2,-58.17,;45.2,-59.71,;46.54,-60.48,;47.88,-59.71,;49.21,-60.48,;50.54,-59.71,;51.88,-60.48,;51.88,-62.02,;50.54,-62.79,;49.21,-62.02,;43.88,-60.48,;42.54,-59.71,;42.54,-58.17,;41.21,-60.48,;41.21,-62.02,;39.87,-62.79,;38.54,-62.02,;37.07,-62.5,;36.17,-61.25,;37.07,-60,;38.54,-60.48,;39.87,-59.71,;43.88,-52.78,;43.88,-51.24,)|
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n/an/a 71n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040497
PNG
(CHEMBL3361225)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2csc3ccccc23)CC1 |r,wU:3.2,wD:6.6,(13.19,-.21,;13.89,-1.59,;15.43,-1.66,;13.12,-2.92,;13.89,-4.25,;13.12,-5.59,;11.58,-5.59,;10.81,-6.92,;11.58,-8.26,;10.81,-9.59,;9.27,-9.59,;8.5,-10.92,;6.96,-10.92,;6.19,-9.59,;4.64,-9.51,;3.81,-10.8,;2.27,-10.72,;1.57,-9.34,;2.41,-8.05,;3.95,-8.14,;9.27,-12.26,;10.81,-12.26,;11.58,-10.92,;11.58,-13.59,;10.95,-14.99,;12.09,-16.03,;13.43,-15.26,;14.89,-15.74,;16.04,-14.7,;15.71,-13.2,;14.25,-12.72,;13.11,-13.75,;10.81,-4.25,;11.58,-2.92,)|
Show InChI InChI=1S/C27H29N5OS/c28-26(33)20-12-10-19(11-13-20)16-30-27-31-23(22-17-34-24-9-5-4-8-21(22)24)14-25(32-27)29-15-18-6-2-1-3-7-18/h1-9,14,17,19-20H,10-13,15-16H2,(H2,28,33)(H2,29,30,31,32)/t19-,20-
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n/an/a 74n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040496
PNG
(CHEMBL3361226)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ccc3c2)CC1 |r,wU:3.2,wD:6.6,(30.16,-3.1,;31.49,-3.87,;32.82,-3.1,;31.49,-5.41,;32.82,-6.18,;32.82,-7.72,;31.49,-8.49,;31.49,-10.03,;30.16,-10.8,;30.16,-12.34,;31.49,-13.11,;31.49,-14.65,;32.82,-15.42,;34.16,-14.65,;35.49,-15.42,;36.82,-14.65,;38.16,-15.42,;38.16,-16.96,;36.82,-17.73,;35.49,-16.96,;30.16,-15.42,;28.82,-14.65,;28.82,-13.11,;27.49,-15.42,;27.49,-16.96,;26.16,-17.73,;24.82,-16.96,;23.35,-17.43,;22.45,-16.19,;23.35,-14.94,;24.82,-15.42,;26.16,-14.65,;30.16,-7.72,;30.16,-6.18,)|
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n/an/a 82n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040512
PNG
(CHEMBL3361211)
Show SMILES CC(=O)c1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(5.06,-16.93,;6.39,-16.16,;7.73,-16.93,;6.39,-14.62,;5.06,-13.85,;5.06,-12.31,;6.39,-11.54,;7.73,-12.31,;7.73,-13.85,;9.06,-11.54,;9.06,-10,;10.39,-9.23,;10.39,-7.69,;11.72,-6.92,;11.72,-5.38,;10.39,-4.61,;10.39,-3.07,;11.72,-2.3,;13.06,-3.07,;13.06,-4.61,;11.72,-10,;11.72,-11.54,;13.06,-12.31,;14.39,-11.54,;15.73,-12.31,;15.73,-13.85,;17.06,-14.62,;18.4,-13.85,;18.4,-12.31,;17.06,-11.54,;19.73,-14.62,;21.06,-13.85,;19.73,-16.16,;10.39,-12.31,)|
Show InChI InChI=1S/C27H31N5O2/c1-18(33)22-8-5-9-23(14-22)24-15-25(29-16-19-6-3-2-4-7-19)32-27(31-24)30-17-20-10-12-21(13-11-20)26(28)34/h2-9,14-15,20-21H,10-13,16-17H2,1H3,(H2,28,34)(H2,29,30,31,32)/t20-,21-
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n/an/a 87n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040505
PNG
(CHEMBL3361217)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(CO)cc2)CC1 |r,wU:3.2,wD:6.6,(19.85,-50.08,;18.51,-50.85,;18.51,-52.39,;17.19,-50.08,;15.85,-50.85,;14.51,-50.08,;14.51,-48.54,;13.18,-47.77,;13.18,-46.23,;11.85,-45.46,;10.51,-46.23,;9.18,-45.46,;7.85,-46.23,;7.85,-47.77,;6.51,-48.54,;6.51,-50.08,;5.18,-50.85,;3.85,-50.08,;3.85,-48.54,;5.18,-47.77,;9.18,-43.92,;10.51,-43.15,;11.85,-43.92,;10.51,-41.61,;9.18,-40.84,;9.18,-39.3,;10.51,-38.53,;10.51,-36.99,;11.85,-36.22,;11.85,-39.3,;11.85,-40.84,;15.85,-47.77,;17.19,-48.54,)|
Show InChI InChI=1S/C26H31N5O2/c27-25(33)22-12-6-19(7-13-22)16-29-26-30-23(21-10-8-20(17-32)9-11-21)14-24(31-26)28-15-18-4-2-1-3-5-18/h1-5,8-11,14,19,22,32H,6-7,12-13,15-17H2,(H2,27,33)(H2,28,29,30,31)/t19-,22-
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n/an/a 89n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040504
PNG
(CHEMBL3361218)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(22.43,-51.31,;23.76,-52.08,;23.76,-53.62,;25.1,-51.31,;26.44,-52.08,;27.76,-51.31,;27.76,-49.77,;26.44,-49,;25.1,-49.77,;29.1,-49,;29.1,-47.46,;30.43,-46.69,;30.43,-45.15,;31.77,-44.38,;31.77,-42.84,;30.43,-42.07,;30.43,-40.53,;31.77,-39.76,;33.1,-40.53,;33.1,-42.07,;31.77,-47.46,;31.77,-49,;33.1,-49.77,;34.44,-49,;35.77,-49.77,;35.77,-51.31,;37.1,-52.08,;38.43,-51.31,;38.43,-49.77,;37.1,-49,;39.77,-52.08,;41.1,-51.31,;39.77,-53.62,;30.43,-49.77,)|
Show InChI InChI=1S/C27H31N5O2/c1-18(33)21-11-13-22(14-12-21)24-15-25(29-16-19-5-3-2-4-6-19)32-27(31-24)30-17-20-7-9-23(10-8-20)26(28)34/h2-6,11-15,20,23H,7-10,16-17H2,1H3,(H2,28,34)(H2,29,30,31,32)/t20-,23-
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n/an/a 102n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040503
PNG
(CHEMBL3361219)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(Cl)cc2)CC1 |r,wU:3.2,wD:6.6,(64.66,-54.69,;63.33,-55.46,;63.33,-57,;61.99,-54.69,;60.66,-55.46,;59.32,-54.69,;59.32,-53.15,;58,-52.38,;58,-50.84,;56.66,-50.07,;55.32,-50.84,;53.99,-50.07,;52.66,-50.84,;52.66,-52.38,;51.32,-53.15,;51.32,-54.69,;49.99,-55.46,;48.66,-54.69,;48.66,-53.15,;49.99,-52.38,;53.99,-48.53,;55.32,-47.76,;56.66,-48.53,;55.32,-46.22,;53.99,-45.45,;53.99,-43.91,;55.32,-43.14,;55.32,-41.6,;56.66,-43.91,;56.66,-45.45,;60.66,-52.38,;61.99,-53.15,)|
Show InChI InChI=1S/C25H28ClN5O/c26-21-12-10-19(11-13-21)22-14-23(28-15-17-4-2-1-3-5-17)31-25(30-22)29-16-18-6-8-20(9-7-18)24(27)32/h1-5,10-14,18,20H,6-9,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,20-
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n/an/a 106n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040511
PNG
(CHEMBL3361212)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(O)c2)CC1 |r,wU:3.2,wD:6.6,(37.46,-13.19,;36.12,-13.96,;36.12,-15.5,;34.78,-13.19,;33.45,-13.96,;32.12,-13.19,;32.12,-11.65,;30.79,-10.88,;30.79,-9.34,;29.45,-8.57,;28.12,-9.34,;26.78,-8.57,;25.45,-9.34,;25.45,-10.88,;24.12,-11.65,;24.12,-13.19,;22.79,-13.96,;21.45,-13.19,;21.45,-11.65,;22.79,-10.88,;26.78,-7.03,;28.12,-6.26,;29.45,-7.03,;28.12,-4.72,;29.45,-3.95,;29.45,-2.41,;28.12,-1.64,;26.78,-2.41,;25.45,-1.64,;26.78,-3.95,;33.45,-10.88,;34.78,-11.65,)|
Show InChI InChI=1S/C25H29N5O2/c26-24(32)19-11-9-18(10-12-19)16-28-25-29-22(20-7-4-8-21(31)13-20)14-23(30-25)27-15-17-5-2-1-3-6-17/h1-8,13-14,18-19,31H,9-12,15-16H2,(H2,26,32)(H2,27,28,29,30)/t18-,19-
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n/an/a 106n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040495
PNG
(CHEMBL3361227)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccnc2)CC1 |r,wU:3.2,wD:6.6,(61.64,-15.67,;60.3,-16.44,;60.3,-17.98,;58.96,-15.67,;57.64,-16.44,;56.3,-15.67,;56.3,-14.13,;54.97,-13.36,;54.97,-11.82,;53.63,-11.05,;52.3,-11.82,;50.96,-11.05,;49.63,-11.82,;49.63,-13.36,;48.3,-14.13,;48.3,-15.67,;46.97,-16.44,;45.63,-15.67,;45.63,-14.13,;46.97,-13.36,;50.96,-9.51,;52.3,-8.74,;53.63,-9.51,;52.3,-7.2,;50.96,-6.43,;50.96,-4.89,;52.3,-4.12,;53.63,-4.89,;53.63,-6.43,;57.64,-13.36,;58.96,-14.13,)|
Show InChI InChI=1S/C24H28N6O/c25-23(31)19-10-8-18(9-11-19)15-28-24-29-21(20-7-4-12-26-16-20)13-22(30-24)27-14-17-5-2-1-3-6-17/h1-7,12-13,16,18-19H,8-11,14-15H2,(H2,25,31)(H2,27,28,29,30)/t18-,19-
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n/an/a 109n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040558
PNG
(CHEMBL3361177)
Show SMILES Nc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(2.83,-25.16,;4.17,-24.39,;5.51,-25.16,;6.84,-24.39,;6.84,-22.85,;5.51,-22.08,;4.17,-22.85,;8.17,-22.08,;8.17,-20.54,;9.51,-19.77,;10.84,-20.54,;10.84,-22.08,;12.17,-22.85,;13.51,-22.08,;14.84,-22.85,;14.84,-24.39,;16.17,-25.16,;17.51,-24.39,;17.51,-22.85,;16.17,-22.08,;18.84,-25.16,;20.17,-24.39,;18.84,-26.7,;9.51,-22.85,;9.51,-18.23,;8.17,-17.46,;8.17,-15.92,;9.51,-15.15,;10.84,-15.92,;10.84,-17.46,)|
Show InChI InChI=1S/C24H26N4O2/c25-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)27-24(28-22)26-15-16-6-8-19(9-7-16)23(29)30/h1-5,10-14,16,19H,6-9,15,25H2,(H,29,30)(H,26,27,28)/t16-,19-
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n/an/a 112n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040569
PNG
(CHEMBL3360670)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.71,-56.26,;25.05,-55.49,;26.59,-55.49,;25.82,-56.82,;25.05,-53.95,;23.71,-53.18,;23.71,-51.64,;25.05,-50.87,;26.38,-51.64,;26.38,-53.18,;27.71,-50.87,;27.71,-49.33,;29.04,-48.57,;30.38,-49.33,;30.38,-50.87,;31.71,-51.64,;33.04,-50.87,;34.37,-51.64,;34.37,-53.18,;35.7,-53.95,;37.03,-53.18,;37.03,-51.64,;35.7,-50.87,;38.37,-53.95,;39.7,-53.18,;38.37,-55.49,;29.04,-51.64,;29.04,-47.03,;27.71,-46.26,;27.71,-44.72,;29.04,-43.95,;30.38,-44.72,;30.38,-46.26,)|
Show InChI InChI=1S/C25H27N3O4S/c1-33(31,32)21-9-5-8-20(14-21)23-15-22(18-6-3-2-4-7-18)27-25(28-23)26-16-17-10-12-19(13-11-17)24(29)30/h2-9,14-15,17,19H,10-13,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,19-
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n/an/a 116n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040547
PNG
(CHEMBL3361188)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(52.53,-14.05,;51.2,-14.82,;51.2,-16.36,;49.87,-14.05,;48.53,-14.82,;47.2,-14.05,;47.2,-12.51,;45.87,-11.74,;45.87,-10.2,;44.53,-9.43,;43.19,-10.2,;41.87,-9.43,;40.53,-10.2,;40.53,-11.74,;39.19,-12.51,;39.19,-14.05,;37.86,-14.82,;36.53,-14.05,;36.53,-12.51,;37.86,-11.74,;41.87,-7.89,;43.19,-7.12,;44.53,-7.89,;43.19,-5.58,;41.87,-4.81,;41.87,-3.27,;43.19,-2.5,;44.53,-3.27,;44.53,-4.81,;48.53,-11.74,;49.87,-12.51,)|
Show InChI InChI=1S/C25H29N5O/c26-24(31)21-13-11-19(12-14-21)17-28-25-29-22(20-9-5-2-6-10-20)15-23(30-25)27-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H2,26,31)(H2,27,28,29,30)/t19-,21-
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n/an/a 127n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040545
PNG
(CHEMBL3361190)
Show SMILES CS(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:7.6,wD:10.10,(18.74,-32.4,;18.74,-30.86,;19.51,-29.53,;20.28,-30.86,;17.4,-30.09,;16.07,-30.86,;16.07,-32.4,;14.74,-30.09,;13.4,-30.86,;12.07,-30.09,;12.07,-28.55,;10.74,-27.78,;10.74,-26.24,;9.4,-25.47,;8.07,-26.24,;6.74,-25.47,;5.4,-26.24,;5.4,-27.78,;4.06,-28.55,;4.06,-30.09,;2.74,-30.86,;1.4,-30.09,;1.4,-28.55,;2.74,-27.78,;6.74,-23.93,;8.07,-23.16,;9.4,-23.93,;8.07,-21.62,;6.74,-20.85,;6.74,-19.31,;8.07,-18.54,;9.4,-19.31,;9.4,-20.85,;13.4,-27.78,;14.74,-28.55,)|
Show InChI InChI=1S/C26H31N5O3S/c1-35(33,34)31-25(32)22-14-12-20(13-15-22)18-28-26-29-23(21-10-6-3-7-11-21)16-24(30-26)27-17-19-8-4-2-5-9-19/h2-11,16,20,22H,12-15,17-18H2,1H3,(H,31,32)(H2,27,28,29,30)/t20-,22-
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n/an/a 133n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040510
PNG
(CHEMBL3361213)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(CO)c2)CC1 |r,wU:3.2,wD:6.6,(58.63,-14.47,;57.3,-15.24,;57.3,-16.78,;55.96,-14.47,;54.63,-15.24,;53.3,-14.47,;53.3,-12.93,;51.97,-12.16,;51.97,-10.62,;50.63,-9.85,;49.3,-10.62,;47.96,-9.85,;46.63,-10.62,;46.63,-12.16,;45.29,-12.93,;45.29,-14.47,;43.97,-15.24,;42.63,-14.47,;42.63,-12.93,;43.97,-12.16,;47.96,-8.31,;49.3,-7.54,;50.63,-8.31,;49.3,-6,;50.63,-5.23,;50.63,-3.69,;49.3,-2.92,;47.96,-3.69,;46.63,-2.92,;46.63,-1.38,;47.96,-5.23,;54.63,-12.16,;55.96,-12.93,)|
Show InChI InChI=1S/C26H31N5O2/c27-25(33)21-11-9-19(10-12-21)16-29-26-30-23(22-8-4-7-20(13-22)17-32)14-24(31-26)28-15-18-5-2-1-3-6-18/h1-8,13-14,19,21,32H,9-12,15-17H2,(H2,27,33)(H2,28,29,30,31)/t19-,21-
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n/an/a 135n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040697
PNG
(CHEMBL3360663)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2F)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(18.99,-23.22,;17.66,-23.99,;17.66,-25.53,;16.33,-23.22,;14.99,-23.99,;13.66,-23.22,;13.66,-21.68,;12.33,-20.91,;11,-21.68,;9.67,-20.91,;9.67,-19.38,;8.34,-18.61,;7,-19.38,;7,-20.91,;8.34,-21.68,;5.67,-21.68,;4.34,-20.91,;3.01,-21.68,;3.01,-23.22,;4.34,-23.99,;5.67,-23.22,;7,-23.99,;8.34,-17.07,;7,-16.3,;7,-14.76,;8.34,-13.99,;9.67,-14.76,;9.67,-16.3,;14.99,-20.91,;16.33,-21.68,)|
Show InChI InChI=1S/C24H24FN3O2/c25-20-9-5-4-8-19(20)22-14-21(17-6-2-1-3-7-17)27-24(28-22)26-15-16-10-12-18(13-11-16)23(29)30/h1-9,14,16,18H,10-13,15H2,(H,29,30)(H,26,27,28)/t16-,18-
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n/an/a 141n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040509
PNG
(CHEMBL3352905)
Show SMILES COc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:26.31,wD:23.24,(60.99,-.76,;60.99,-2.3,;62.33,-3.07,;63.66,-2.3,;64.99,-3.07,;64.99,-4.61,;63.66,-5.38,;62.33,-4.61,;63.66,-6.92,;62.33,-7.69,;62.33,-9.23,;60.99,-10,;60.99,-11.54,;59.66,-12.31,;59.66,-13.85,;58.33,-14.62,;56.99,-13.85,;56.99,-12.31,;58.33,-11.54,;63.66,-10,;64.99,-9.23,;66.33,-10,;66.33,-11.54,;67.66,-12.31,;67.66,-13.85,;68.99,-14.62,;70.33,-13.85,;70.33,-12.31,;68.99,-11.54,;71.66,-14.62,;73,-13.85,;71.66,-16.16,;64.99,-7.69,)|
Show InChI InChI=1S/C26H31N5O2/c1-33-22-9-5-8-21(14-22)23-15-24(28-16-18-6-3-2-4-7-18)31-26(30-23)29-17-19-10-12-20(13-11-19)25(27)32/h2-9,14-15,19-20H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t19-,20-
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n/an/a 149n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040556
PNG
(CHEMBL3361179)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc3[nH]ccc3c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.18,-28.09,;57.84,-28.86,;57.84,-30.4,;56.5,-28.09,;55.18,-28.86,;53.84,-28.09,;53.84,-26.55,;52.5,-25.78,;51.17,-26.55,;49.84,-25.78,;49.84,-24.24,;48.5,-23.47,;47.17,-24.24,;47.17,-25.78,;48.5,-26.55,;45.84,-26.55,;45.84,-28.09,;44.5,-28.86,;43.17,-28.09,;41.71,-28.57,;40.8,-27.32,;41.71,-26.08,;43.17,-26.55,;44.5,-25.78,;48.5,-21.93,;47.17,-21.16,;47.17,-19.62,;48.5,-18.85,;49.84,-19.62,;49.84,-21.16,;55.18,-25.78,;56.5,-26.55,)|
Show InChI InChI=1S/C26H26N4O2/c31-25(32)19-8-6-17(7-9-19)16-28-26-29-23(18-4-2-1-3-5-18)15-24(30-26)20-10-11-22-21(14-20)12-13-27-22/h1-5,10-15,17,19,27H,6-9,16H2,(H,31,32)(H,28,29,30)/t17-,19-
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n/an/a 150n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040508
PNG
(CHEMBL3361214)
Show SMILES Cc1cccc(c1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:25.30,wD:22.23,(6.23,-16.39,;7.57,-17.16,;8.89,-16.39,;10.23,-17.16,;10.23,-18.7,;8.89,-19.47,;7.57,-18.7,;8.89,-21.01,;7.57,-21.78,;7.57,-23.32,;6.23,-24.09,;6.23,-25.63,;4.89,-26.4,;4.89,-27.94,;3.57,-28.71,;2.23,-27.94,;2.23,-26.4,;3.57,-25.63,;8.89,-24.09,;10.23,-23.32,;11.57,-24.09,;11.57,-25.63,;12.9,-26.4,;12.9,-27.94,;14.23,-28.71,;15.57,-27.94,;15.57,-26.4,;14.23,-25.63,;16.9,-28.71,;18.23,-27.94,;16.9,-30.25,;10.23,-21.78,)|
Show InChI InChI=1S/C26H31N5O/c1-18-6-5-9-22(14-18)23-15-24(28-16-19-7-3-2-4-8-19)31-26(30-23)29-17-20-10-12-21(13-11-20)25(27)32/h2-9,14-15,20-21H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t20-,21-
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n/an/a 183n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040566
PNG
(CHEMBL3360671)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(c2)[N+]([O-])=O)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(65.78,-56.55,;64.45,-57.32,;64.45,-58.86,;63.12,-56.55,;61.78,-57.32,;60.45,-56.55,;60.45,-55.01,;59.12,-54.24,;57.78,-55.01,;56.44,-54.24,;56.44,-52.7,;55.12,-51.93,;53.78,-52.7,;53.78,-54.24,;55.12,-55.01,;52.44,-55.01,;51.12,-54.24,;49.78,-55.01,;49.78,-56.55,;51.12,-57.32,;52.44,-56.55,;51.12,-58.86,;49.78,-59.63,;52.44,-59.63,;55.12,-50.39,;53.78,-49.62,;53.78,-48.08,;55.12,-47.31,;56.44,-48.08,;56.44,-49.62,;61.78,-54.24,;63.12,-55.01,)|
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-11-9-16(10-12-18)15-25-24-26-21(17-5-2-1-3-6-17)14-22(27-24)19-7-4-8-20(13-19)28(31)32/h1-8,13-14,16,18H,9-12,15H2,(H,29,30)(H,25,26,27)/t16-,18-
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n/an/a 201n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040562
PNG
(CHEMBL3361173)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(71.05,-56.73,;69.72,-57.5,;69.72,-59.04,;68.39,-56.73,;67.05,-57.5,;65.72,-56.73,;65.72,-55.19,;64.39,-54.42,;63.05,-55.19,;61.72,-54.42,;61.72,-52.88,;60.38,-52.11,;59.05,-52.88,;59.05,-54.42,;60.38,-55.19,;57.71,-55.19,;57.71,-56.73,;56.39,-57.5,;55.05,-56.73,;53.71,-57.5,;55.05,-55.19,;56.39,-54.42,;60.38,-50.57,;59.05,-49.8,;59.05,-48.26,;60.38,-47.49,;61.72,-48.26,;61.72,-49.8,;67.05,-54.42,;68.39,-55.19,)|
Show InChI InChI=1S/C24H24ClN3O2/c25-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)27-24(28-22)26-15-16-6-8-19(9-7-16)23(29)30/h1-5,10-14,16,19H,6-9,15H2,(H,29,30)(H,26,27,28)/t16-,19-
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n/an/a 221n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040502
PNG
(CHEMBL3361220)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(cc2)C(F)(F)F)CC1 |r,wU:3.2,wD:6.6,(19.2,-17.74,;17.87,-18.51,;17.87,-20.05,;16.53,-17.74,;15.2,-18.51,;13.87,-17.74,;13.87,-16.2,;12.53,-15.43,;12.53,-13.89,;11.2,-13.12,;9.86,-13.89,;8.53,-13.12,;7.2,-13.89,;7.2,-15.43,;5.86,-16.2,;5.86,-17.74,;4.53,-18.51,;3.2,-17.74,;3.2,-16.2,;4.53,-15.43,;8.53,-11.58,;9.86,-10.81,;11.2,-11.58,;9.86,-9.27,;8.53,-8.5,;8.53,-6.96,;9.86,-6.19,;11.2,-6.96,;11.2,-8.5,;9.86,-4.65,;9.86,-3.11,;11.2,-3.88,;8.53,-3.88,;15.2,-15.43,;16.53,-16.2,)|
Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)21-12-10-19(11-13-21)22-14-23(31-15-17-4-2-1-3-5-17)34-25(33-22)32-16-18-6-8-20(9-7-18)24(30)35/h1-5,10-14,18,20H,6-9,15-16H2,(H2,30,35)(H2,31,32,33,34)/t18-,20-
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n/an/a 222n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040507
PNG
(CHEMBL3361215)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cccc(c2)C(F)(F)F)CC1 |r,wU:3.2,wD:6.6,(38.84,-31.91,;37.5,-32.68,;37.5,-34.22,;36.17,-31.91,;34.84,-32.68,;33.5,-31.91,;33.5,-30.37,;32.17,-29.6,;32.17,-28.06,;30.83,-27.29,;29.5,-28.06,;28.17,-27.29,;26.83,-28.06,;26.83,-29.6,;25.5,-30.37,;25.5,-31.91,;24.17,-32.68,;22.83,-31.91,;22.83,-30.37,;24.17,-29.6,;28.17,-25.75,;29.5,-24.98,;30.83,-25.75,;29.5,-23.44,;30.83,-22.67,;30.83,-21.13,;29.5,-20.36,;28.17,-21.13,;28.17,-22.67,;26.83,-20.36,;25.5,-19.59,;26.83,-18.82,;25.5,-21.13,;34.84,-29.6,;36.17,-30.37,)|
Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)21-8-4-7-20(13-21)22-14-23(31-15-17-5-2-1-3-6-17)34-25(33-22)32-16-18-9-11-19(12-10-18)24(30)35/h1-8,13-14,18-19H,9-12,15-16H2,(H2,30,35)(H2,31,32,33,34)/t18-,19-
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n/an/a 237n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040501
PNG
(CHEMBL3361221)
Show SMILES CCOc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:27.32,wD:24.25,(65.95,-42.15,;65.95,-43.69,;64.61,-44.46,;64.61,-46,;63.29,-46.77,;63.29,-48.31,;64.61,-49.08,;65.95,-48.31,;65.95,-46.77,;64.61,-50.62,;63.29,-51.39,;63.29,-52.93,;61.95,-53.7,;61.95,-55.24,;60.61,-56.01,;60.61,-57.55,;59.28,-58.32,;57.95,-57.55,;57.95,-56.01,;59.28,-55.24,;64.61,-53.7,;65.95,-52.93,;67.29,-53.7,;67.29,-55.24,;68.61,-56.01,;68.61,-57.55,;69.95,-58.32,;71.29,-57.55,;71.29,-56.01,;69.95,-55.24,;72.62,-58.32,;73.95,-57.55,;72.62,-59.86,;65.95,-51.39,)|
Show InChI InChI=1S/C27H33N5O2/c1-2-34-23-14-12-21(13-15-23)24-16-25(29-17-19-6-4-3-5-7-19)32-27(31-24)30-18-20-8-10-22(11-9-20)26(28)33/h3-7,12-16,20,22H,2,8-11,17-18H2,1H3,(H2,28,33)(H2,29,30,31,32)/t20-,22-
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n/an/a 246n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040544
PNG
(CHEMBL3361191)
Show SMILES FC(F)(F)S(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:10.9,wD:13.13,(38.76,-33.16,;40.09,-32.39,;41.42,-33.16,;40.08,-33.93,;40.09,-30.85,;40.86,-29.52,;41.63,-30.85,;38.75,-30.08,;37.42,-30.85,;37.42,-32.39,;36.09,-30.08,;34.75,-30.85,;33.42,-30.08,;33.42,-28.54,;32.09,-27.77,;32.09,-26.23,;30.75,-25.46,;29.42,-26.23,;28.09,-25.46,;26.75,-26.23,;26.75,-27.77,;25.41,-28.54,;25.41,-30.08,;24.08,-30.85,;22.75,-30.08,;22.75,-28.54,;24.08,-27.77,;28.09,-23.92,;29.42,-23.15,;30.75,-23.92,;29.42,-21.61,;28.09,-20.84,;28.09,-19.3,;29.42,-18.53,;30.75,-19.3,;30.75,-20.84,;34.75,-27.77,;36.09,-28.54,)|
Show InChI InChI=1S/C26H28F3N5O3S/c27-26(28,29)38(36,37)34-24(35)21-13-11-19(12-14-21)17-31-25-32-22(20-9-5-2-6-10-20)15-23(33-25)30-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,34,35)(H2,30,31,32,33)/t19-,21-
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n/an/a 264n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040500
PNG
(CHEMBL3361222)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc(F)cc2)CC1 |r,wU:3.2,wD:6.6,(16.3,-56.39,;14.96,-57.16,;14.96,-58.7,;13.63,-56.39,;12.3,-57.16,;10.96,-56.39,;10.96,-54.85,;9.63,-54.08,;9.63,-52.54,;8.29,-51.77,;6.96,-52.54,;5.63,-51.77,;4.29,-52.54,;4.29,-54.08,;2.96,-54.85,;2.96,-56.39,;1.63,-57.16,;.29,-56.39,;.29,-54.85,;1.63,-54.08,;5.63,-50.23,;6.96,-49.46,;8.29,-50.23,;6.96,-47.92,;5.63,-47.15,;5.63,-45.61,;6.96,-44.84,;6.96,-43.3,;8.29,-45.61,;8.29,-47.15,;12.3,-54.08,;13.63,-54.85,)|
Show InChI InChI=1S/C25H28FN5O/c26-21-12-10-19(11-13-21)22-14-23(28-15-17-4-2-1-3-5-17)31-25(30-22)29-16-18-6-8-20(9-7-18)24(27)32/h1-5,10-14,18,20H,6-9,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,20-
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n/an/a 299n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040699
PNG
(CHEMBL3360661)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(41.33,-10.66,;40,-11.43,;40,-12.97,;38.66,-10.66,;37.33,-11.43,;36,-10.66,;36,-9.13,;34.67,-8.36,;33.33,-9.13,;32,-8.36,;32,-6.82,;30.67,-6.05,;29.33,-6.82,;29.33,-8.36,;30.67,-9.13,;28,-9.13,;28,-10.66,;26.67,-11.43,;25.33,-10.66,;25.33,-9.13,;26.67,-8.36,;30.67,-4.51,;29.33,-3.74,;29.33,-2.2,;30.67,-1.43,;32,-2.2,;32,-3.74,;37.33,-8.36,;38.66,-9.13,)|
Show InChI InChI=1S/C24H25N3O2/c28-23(29)20-13-11-17(12-14-20)16-25-24-26-21(18-7-3-1-4-8-18)15-22(27-24)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,28,29)(H,25,26,27)/t17-,20-
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n/an/a 300n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040546
PNG
(CHEMBL3361189)
Show SMILES CNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:4.3,wD:7.7,(70.04,-13.2,;70.04,-14.74,;68.7,-15.51,;68.7,-17.05,;67.37,-14.74,;66.04,-15.51,;64.71,-14.74,;64.71,-13.2,;63.37,-12.43,;63.37,-10.89,;62.04,-10.12,;60.7,-10.89,;59.37,-10.12,;58.04,-10.89,;58.04,-12.43,;56.71,-13.2,;56.71,-14.74,;55.37,-15.51,;54.03,-14.74,;54.03,-13.2,;55.37,-12.43,;59.37,-8.58,;60.7,-7.81,;62.04,-8.58,;60.7,-6.27,;59.37,-5.5,;59.37,-3.96,;60.7,-3.19,;62.04,-3.96,;62.04,-5.5,;66.04,-12.43,;67.37,-13.2,)|
Show InChI InChI=1S/C26H31N5O/c1-27-25(32)22-14-12-20(13-15-22)18-29-26-30-23(21-10-6-3-7-11-21)16-24(31-26)28-17-19-8-4-2-5-9-19/h2-11,16,20,22H,12-15,17-18H2,1H3,(H,27,32)(H2,28,29,30,31)/t20-,22-
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n/an/a 448n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040494
PNG
(CHEMBL3361228)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccsc2)CC1 |r,wU:3.2,wD:6.6,(73.02,-12.92,;71.68,-13.69,;71.68,-15.23,;70.35,-12.92,;69.02,-13.69,;67.68,-12.92,;67.68,-11.38,;66.35,-10.61,;66.35,-9.07,;65.02,-8.3,;63.68,-9.07,;62.35,-8.3,;61.02,-9.07,;61.02,-10.61,;59.68,-11.38,;59.68,-12.92,;58.35,-13.69,;57.01,-12.92,;57.01,-11.38,;58.35,-10.61,;62.35,-6.76,;63.68,-5.99,;65.02,-6.76,;63.68,-4.45,;62.44,-3.54,;62.91,-2.08,;64.45,-2.08,;64.93,-3.54,;69.02,-10.61,;70.35,-11.38,)|
Show InChI InChI=1S/C23H27N5OS/c24-22(29)18-8-6-17(7-9-18)14-26-23-27-20(19-10-11-30-15-19)12-21(28-23)25-13-16-4-2-1-3-5-16/h1-5,10-12,15,17-18H,6-9,13-14H2,(H2,24,29)(H2,25,26,27,28)/t17-,18-
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n/an/a 452n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040536
PNG
(CHEMBL3361199)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(F)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(57.75,-56.4,;56.42,-57.17,;56.42,-58.71,;55.09,-56.4,;53.75,-57.17,;52.41,-56.4,;52.41,-54.86,;51.09,-54.09,;51.09,-52.55,;49.75,-51.78,;48.41,-52.55,;47.08,-51.78,;45.75,-52.55,;45.75,-54.09,;44.41,-54.86,;43.08,-54.09,;41.75,-54.86,;41.75,-56.4,;43.08,-57.17,;43.08,-58.71,;44.41,-56.4,;47.08,-50.24,;48.41,-49.47,;49.75,-50.24,;48.41,-47.93,;47.08,-47.16,;47.08,-45.62,;48.41,-44.85,;49.75,-45.62,;49.75,-47.16,;53.75,-54.09,;55.09,-54.86,)|
Show InChI InChI=1S/C25H28FN5O/c26-21-8-4-5-18(13-21)16-28-23-14-22(19-6-2-1-3-7-19)30-25(31-23)29-15-17-9-11-20(12-10-17)24(27)32/h1-8,13-14,17,20H,9-12,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-
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n/an/a 474n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040663
PNG
(CHEMBL3360668)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(Cl)c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(63.24,-42.38,;61.92,-43.15,;61.92,-44.69,;60.58,-42.38,;59.25,-43.15,;57.91,-42.38,;57.91,-40.84,;56.59,-40.08,;55.25,-40.84,;53.93,-40.08,;53.93,-38.54,;52.59,-37.77,;51.26,-38.54,;51.26,-40.08,;52.59,-40.84,;49.92,-40.84,;48.6,-40.08,;47.26,-40.84,;47.26,-42.38,;48.6,-43.15,;48.6,-44.69,;49.92,-42.38,;52.59,-36.23,;51.26,-35.46,;51.26,-33.92,;52.59,-33.15,;53.93,-33.92,;53.93,-35.46,;59.25,-40.08,;60.58,-40.84,)|
Show InChI InChI=1S/C24H24ClN3O2/c25-20-8-4-7-19(13-20)22-14-21(17-5-2-1-3-6-17)27-24(28-22)26-15-16-9-11-18(12-10-16)23(29)30/h1-8,13-14,16,18H,9-12,15H2,(H,29,30)(H,26,27,28)/t16-,18-
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n/an/a 483n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040493
PNG
(CHEMBL3361229)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccoc2)CC1 |r,wU:3.2,wD:6.6,(18.11,-31.73,;16.77,-32.5,;16.77,-34.04,;15.44,-31.73,;14.11,-32.5,;12.77,-31.73,;12.77,-30.19,;11.44,-29.42,;11.44,-27.88,;10.11,-27.11,;8.77,-27.88,;7.44,-27.11,;6.11,-27.88,;6.11,-29.42,;4.77,-30.19,;4.77,-31.73,;3.44,-32.5,;2.1,-31.73,;2.1,-30.19,;3.44,-29.42,;7.44,-25.57,;8.77,-24.8,;10.11,-25.57,;8.77,-23.26,;7.53,-22.35,;8,-20.89,;9.54,-20.89,;10.02,-22.35,;14.11,-29.42,;15.44,-30.19,)|
Show InChI InChI=1S/C23H27N5O2/c24-22(29)18-8-6-17(7-9-18)14-26-23-27-20(19-10-11-30-15-19)12-21(28-23)25-13-16-4-2-1-3-5-16/h1-5,10-12,15,17-18H,6-9,13-14H2,(H2,24,29)(H2,25,26,27,28)/t17-,18-
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n/an/a 491n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040662
PNG
(CHEMBL3360669)
Show SMILES COc1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(2.35,-53.91,;3.69,-53.14,;3.69,-51.6,;2.35,-50.83,;2.35,-49.29,;3.69,-48.52,;5.01,-49.29,;5.01,-50.83,;6.35,-48.52,;6.35,-46.98,;7.68,-46.21,;9.02,-46.98,;9.02,-48.52,;10.35,-49.29,;11.68,-48.52,;13.02,-49.29,;13.02,-50.83,;14.35,-51.6,;15.68,-50.83,;15.68,-49.29,;14.35,-48.52,;17.02,-51.6,;18.34,-50.83,;17.02,-53.14,;7.68,-49.29,;7.68,-44.68,;6.35,-43.91,;6.35,-42.37,;7.68,-41.6,;9.02,-42.37,;9.02,-43.91,)|
Show InChI InChI=1S/C25H27N3O3/c1-31-21-9-5-8-20(14-21)23-15-22(18-6-3-2-4-7-18)27-25(28-23)26-16-17-10-12-19(13-11-17)24(29)30/h2-9,14-15,17,19H,10-13,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,19-
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n/an/a 543n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040673
PNG
(CHEMBL3360667)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(F)c2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.19,-37.2,;37.86,-37.97,;37.86,-39.51,;36.52,-37.2,;35.19,-37.97,;33.86,-37.2,;33.86,-35.66,;32.53,-34.9,;31.2,-35.66,;29.87,-34.9,;29.87,-33.36,;28.53,-32.59,;27.2,-33.36,;27.2,-34.9,;28.53,-35.66,;25.87,-35.66,;24.54,-34.9,;23.21,-35.66,;23.21,-37.2,;24.54,-37.97,;24.54,-39.51,;25.87,-37.2,;28.53,-31.05,;27.2,-30.28,;27.2,-28.74,;28.53,-27.98,;29.87,-28.74,;29.87,-30.28,;35.19,-34.9,;36.52,-35.66,)|
Show InChI InChI=1S/C24H24FN3O2/c25-20-8-4-7-19(13-20)22-14-21(17-5-2-1-3-6-17)27-24(28-22)26-15-16-9-11-18(12-10-16)23(29)30/h1-8,13-14,16,18H,9-12,15H2,(H,29,30)(H,26,27,28)/t16-,18-
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n/an/a 552n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040555
PNG
(CHEMBL3361180)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccco2)CC1 |r,wU:3.2,wD:6.6,(19.25,-38.07,;17.91,-38.84,;17.91,-40.38,;16.58,-38.07,;15.25,-38.84,;13.91,-38.07,;13.91,-36.53,;12.57,-35.76,;11.25,-36.53,;9.91,-35.76,;8.57,-36.53,;7.25,-35.76,;7.25,-34.22,;8.57,-33.45,;9.91,-34.22,;8.57,-31.91,;7.25,-31.14,;7.25,-29.6,;8.57,-28.83,;9.91,-29.6,;9.91,-31.14,;5.91,-36.53,;5.75,-38.06,;4.24,-38.39,;3.47,-37.05,;4.5,-35.91,;15.25,-35.76,;16.58,-36.53,)|
Show InChI InChI=1S/C22H23N3O3/c26-21(27)17-10-8-15(9-11-17)14-23-22-24-18(16-5-2-1-3-6-16)13-19(25-22)20-7-4-12-28-20/h1-7,12-13,15,17H,8-11,14H2,(H,26,27)(H,23,24,25)/t15-,17-
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n/an/a 570n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040564
PNG
(CHEMBL3361171)
Show SMILES Cc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(28.74,-29.9,;28.74,-28.37,;27.42,-27.6,;27.42,-26.07,;28.75,-25.3,;30.07,-26.07,;30.08,-27.59,;28.75,-23.77,;30.09,-23,;30.09,-21.46,;28.75,-20.69,;27.42,-21.46,;26.09,-20.69,;24.76,-21.46,;23.42,-20.69,;23.42,-19.15,;22.08,-18.38,;20.75,-19.15,;20.75,-20.69,;22.08,-21.46,;19.42,-18.38,;18.08,-19.15,;19.42,-16.84,;27.42,-23,;31.42,-20.69,;32.75,-21.46,;34.09,-20.69,;34.09,-19.15,;32.75,-18.38,;31.42,-19.15,)|
Show InChI InChI=1S/C25H27N3O2/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)27-25(28-23)26-16-18-9-13-21(14-10-18)24(29)30/h2-8,11-12,15,18,21H,9-10,13-14,16H2,1H3,(H,29,30)(H,26,27,28)/t18-,21-
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n/an/a 577n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040681
PNG
(CHEMBL3360666)
Show SMILES Cc1cccc(c1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(10.04,-24.94,;8.71,-25.71,;7.37,-24.94,;6.03,-25.71,;6.03,-27.25,;7.37,-28.02,;8.71,-27.25,;7.37,-29.56,;6.03,-30.33,;6.03,-31.87,;7.37,-32.64,;8.71,-31.87,;10.03,-32.64,;11.37,-31.87,;12.71,-32.64,;12.71,-34.18,;14.04,-34.95,;15.37,-34.18,;15.37,-32.64,;14.04,-31.87,;16.71,-34.95,;18.04,-34.18,;16.71,-36.49,;8.71,-30.33,;4.7,-32.64,;4.7,-34.18,;3.37,-34.95,;2.03,-34.18,;2.03,-32.64,;3.37,-31.87,)|
Show InChI InChI=1S/C25H27N3O2/c1-17-6-5-9-21(14-17)23-15-22(19-7-3-2-4-8-19)27-25(28-23)26-16-18-10-12-20(13-11-18)24(29)30/h2-9,14-15,18,20H,10-13,16H2,1H3,(H,29,30)(H,26,27,28)/t18-,20-
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n/an/a 578n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040698
PNG
(CHEMBL3360662)
Show SMILES Cc1ccccc1-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:17.21,wD:14.14,(52.34,-4.86,;51,-4.09,;51,-2.55,;49.67,-1.78,;48.33,-2.55,;48.33,-4.09,;49.67,-4.86,;49.67,-6.4,;48.33,-7.17,;48.33,-8.71,;49.67,-9.48,;51,-8.71,;52.33,-9.48,;53.67,-8.71,;55,-9.48,;55,-11.02,;56.33,-11.79,;57.67,-11.02,;57.67,-9.48,;56.33,-8.71,;59,-11.79,;60.33,-11.02,;59,-13.33,;51,-7.17,;46.99,-9.48,;46.99,-11.02,;45.66,-11.79,;44.33,-11.02,;44.33,-9.48,;45.66,-8.71,)|
Show InChI InChI=1S/C25H27N3O2/c1-17-7-5-6-10-21(17)23-15-22(19-8-3-2-4-9-19)27-25(28-23)26-16-18-11-13-20(14-12-18)24(29)30/h2-10,15,18,20H,11-14,16H2,1H3,(H,29,30)(H,26,27,28)/t18-,20-
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n/an/a 673n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040696
PNG
(CHEMBL3360664)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2Cl)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(38.73,-26.36,;37.4,-27.13,;37.4,-28.67,;36.07,-26.36,;34.73,-27.13,;33.4,-26.36,;33.4,-24.83,;32.07,-24.06,;30.74,-24.83,;29.41,-24.06,;29.41,-22.52,;28.08,-21.75,;26.74,-22.52,;26.74,-24.06,;28.08,-24.83,;25.41,-24.83,;24.08,-24.06,;22.75,-24.83,;22.75,-26.36,;24.08,-27.13,;25.41,-26.36,;26.74,-27.13,;28.08,-20.21,;26.74,-19.44,;26.74,-17.91,;28.08,-17.14,;29.41,-17.91,;29.41,-19.44,;34.73,-24.06,;36.07,-24.83,)|
Show InChI InChI=1S/C24H24ClN3O2/c25-20-9-5-4-8-19(20)22-14-21(17-6-2-1-3-7-17)27-24(28-22)26-15-16-10-12-18(13-11-16)23(29)30/h1-9,14,16,18H,10-13,15H2,(H,29,30)(H,26,27,28)/t16-,18-
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n/an/a 700n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040563
PNG
(CHEMBL3361172)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(F)cc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.27,-54.94,;57.94,-55.71,;57.94,-57.25,;56.61,-54.94,;55.27,-55.71,;53.94,-54.94,;53.94,-53.4,;52.61,-52.63,;51.27,-53.4,;49.94,-52.63,;49.94,-51.09,;48.61,-50.32,;47.27,-51.09,;47.27,-52.63,;48.61,-53.4,;45.94,-53.4,;45.94,-54.94,;44.61,-55.71,;43.27,-54.94,;41.93,-55.71,;43.27,-53.4,;44.61,-52.63,;48.61,-48.78,;47.27,-48.01,;47.27,-46.47,;48.61,-45.7,;49.94,-46.47,;49.94,-48.01,;55.27,-52.63,;56.61,-53.4,)|
Show InChI InChI=1S/C24H24FN3O2/c25-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)27-24(28-22)26-15-16-6-8-19(9-7-16)23(29)30/h1-5,10-14,16,19H,6-9,15H2,(H,29,30)(H,26,27,28)/t16-,19-
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n/an/a 742n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040565
PNG
(CHEMBL3360672)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccc(c2)N=[N+]=[N-])-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(19.75,-56.04,;18.42,-56.81,;18.42,-58.35,;17.08,-56.04,;15.75,-56.81,;14.42,-56.04,;14.42,-54.5,;13.09,-53.73,;11.75,-54.5,;10.42,-53.73,;10.42,-52.19,;9.08,-51.42,;7.75,-52.19,;7.75,-53.73,;9.08,-54.5,;6.41,-54.5,;5.09,-53.73,;3.75,-54.5,;3.75,-56.04,;5.09,-56.81,;6.41,-56.04,;5.09,-58.35,;3.75,-59.12,;2.41,-59.89,;9.08,-49.88,;7.75,-49.11,;7.75,-47.57,;9.08,-46.8,;10.42,-47.57,;10.42,-49.11,;15.75,-53.73,;17.08,-54.5,)|
Show InChI InChI=1S/C24H24N6O2/c25-30-29-20-8-4-7-19(13-20)22-14-21(17-5-2-1-3-6-17)27-24(28-22)26-15-16-9-11-18(12-10-16)23(31)32/h1-8,13-14,16,18H,9-12,15H2,(H,31,32)(H,26,27,28)/t16-,18-
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n/an/a 879n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040561
PNG
(CHEMBL3361174)
Show SMILES COc1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(2.14,-13.22,;2.14,-11.68,;3.48,-10.91,;4.81,-11.68,;6.14,-10.91,;6.14,-9.37,;4.81,-8.6,;3.48,-9.37,;7.48,-8.6,;7.48,-7.06,;8.81,-6.29,;10.14,-7.06,;10.14,-8.6,;11.48,-9.37,;12.81,-8.6,;14.14,-9.37,;14.14,-10.91,;15.48,-11.68,;16.81,-10.91,;16.81,-9.37,;15.48,-8.6,;18.14,-11.68,;19.48,-10.91,;18.14,-13.22,;8.81,-9.37,;8.81,-4.75,;7.48,-3.98,;7.48,-2.44,;8.81,-1.67,;10.14,-2.44,;10.14,-3.98,)|
Show InChI InChI=1S/C25H27N3O3/c1-31-21-13-11-19(12-14-21)23-15-22(18-5-3-2-4-6-18)27-25(28-23)26-16-17-7-9-20(10-8-17)24(29)30/h2-6,11-15,17,20H,7-10,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,20-
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n/an/a 921n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040543
PNG
(CHEMBL3361192)
Show SMILES NNC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:4.3,wD:7.7,(60.66,-26.3,;60.66,-27.84,;59.32,-28.61,;59.32,-30.15,;58,-27.84,;56.66,-28.61,;55.32,-27.84,;55.32,-26.3,;53.99,-25.53,;53.99,-23.99,;52.66,-23.22,;51.32,-23.99,;49.99,-23.22,;48.66,-23.99,;48.66,-25.53,;47.32,-26.3,;47.32,-27.84,;45.99,-28.61,;44.66,-27.84,;44.66,-26.3,;45.99,-25.53,;49.99,-21.68,;51.32,-20.91,;52.66,-21.68,;51.32,-19.37,;49.99,-18.6,;49.99,-17.06,;51.32,-16.29,;52.66,-17.06,;52.66,-18.6,;56.66,-25.53,;58,-26.3,)|
Show InChI InChI=1S/C25H30N6O/c26-31-24(32)21-13-11-19(12-14-21)17-28-25-29-22(20-9-5-2-6-10-20)15-23(30-25)27-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17,26H2,(H,31,32)(H2,27,28,29,30)/t19-,21-
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n/an/a 986n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040560
PNG
(CHEMBL3361175)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(25.97,-12.35,;27.45,-12.75,;28.22,-14.09,;26.68,-14.09,;28.79,-11.98,;30.12,-12.75,;31.45,-11.98,;31.45,-10.44,;30.12,-9.67,;28.79,-10.44,;32.79,-9.67,;32.79,-8.13,;34.13,-7.36,;35.45,-8.13,;35.45,-9.67,;36.79,-10.44,;38.12,-9.67,;39.46,-10.44,;39.46,-11.98,;40.79,-12.75,;42.12,-11.98,;42.12,-10.44,;40.79,-9.67,;43.46,-12.75,;44.79,-11.98,;43.46,-14.29,;34.13,-10.44,;34.13,-5.82,;32.79,-5.05,;32.79,-3.51,;34.13,-2.74,;35.45,-3.51,;35.45,-5.05,)|
Show InChI InChI=1S/C25H27N3O4S/c1-33(31,32)21-13-11-19(12-14-21)23-15-22(18-5-3-2-4-6-18)27-25(28-23)26-16-17-7-9-20(10-8-17)24(29)30/h2-6,11-15,17,20H,7-10,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,20-
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n/an/a 1.09E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040554
PNG
(CHEMBL3361181)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2cccnc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.62,-42.6,;38.29,-43.37,;38.29,-44.91,;36.95,-42.6,;35.62,-43.37,;34.29,-42.6,;34.29,-41.06,;32.96,-40.3,;31.62,-41.06,;30.3,-40.3,;28.96,-41.06,;27.63,-40.3,;27.63,-38.76,;28.96,-37.99,;30.3,-38.76,;28.96,-36.45,;27.63,-35.68,;27.63,-34.14,;28.96,-33.37,;30.3,-34.14,;30.3,-35.68,;26.29,-41.06,;26.29,-42.6,;24.97,-43.37,;23.63,-42.6,;23.63,-41.06,;24.97,-40.3,;35.62,-40.3,;36.95,-41.06,)|
Show InChI InChI=1S/C23H24N4O2/c28-22(29)18-10-8-16(9-11-18)14-25-23-26-20(17-5-2-1-3-6-17)13-21(27-23)19-7-4-12-24-15-19/h1-7,12-13,15-16,18H,8-11,14H2,(H,28,29)(H,25,26,27)/t16-,18-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040553
PNG
(CHEMBL3361182)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccncc2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-44.54,;57.96,-45.31,;57.96,-46.85,;56.63,-44.54,;55.29,-45.31,;53.96,-44.54,;53.96,-43,;52.62,-42.23,;51.29,-43,;49.96,-42.23,;48.62,-43,;47.29,-42.23,;47.29,-40.69,;48.62,-39.92,;49.96,-40.69,;48.62,-38.38,;49.96,-37.61,;49.96,-36.07,;48.62,-35.3,;47.29,-36.07,;47.29,-37.61,;45.95,-43,;45.95,-44.54,;44.62,-45.31,;43.29,-44.54,;43.29,-43,;44.62,-42.23,;55.29,-42.23,;56.63,-43,)|
Show InChI InChI=1S/C23H24N4O2/c28-22(29)19-8-6-16(7-9-19)15-25-23-26-20(17-4-2-1-3-5-17)14-21(27-23)18-10-12-24-13-11-18/h1-5,10-14,16,19H,6-9,15H2,(H,28,29)(H,25,26,27)/t16-,19-
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n/an/a 1.67E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040537
PNG
(CHEMBL3361198)
Show SMILES Cc1cccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)c1 |r,wU:18.21,wD:15.14,(23.44,-57.57,;23.44,-56.03,;22.11,-55.26,;22.11,-53.72,;23.44,-52.95,;24.77,-53.72,;26.11,-52.95,;26.11,-51.41,;27.45,-50.64,;27.45,-49.1,;28.77,-48.33,;30.11,-49.1,;30.11,-50.64,;31.45,-51.41,;31.45,-52.95,;32.78,-53.72,;32.78,-55.26,;34.11,-56.03,;35.45,-55.26,;35.45,-53.72,;34.11,-52.95,;36.78,-56.03,;38.11,-55.26,;36.78,-57.57,;28.77,-51.41,;28.77,-46.79,;27.45,-46.02,;27.45,-44.48,;28.77,-43.71,;30.11,-44.48,;30.11,-46.02,;24.77,-55.26,)|
Show InChI InChI=1S/C26H31N5O/c1-18-6-5-7-20(14-18)17-28-24-15-23(21-8-3-2-4-9-21)30-26(31-24)29-16-19-10-12-22(13-11-19)25(27)32/h2-9,14-15,19,22H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t19-,22-
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n/an/a 1.68E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040541
PNG
(CHEMBL3361194)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3F)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(36.56,-45.68,;35.22,-46.45,;35.22,-47.99,;33.89,-45.68,;32.56,-46.45,;31.22,-45.68,;31.22,-44.14,;29.9,-43.37,;29.9,-41.83,;28.56,-41.06,;27.22,-41.83,;25.89,-41.06,;24.56,-41.83,;24.56,-43.37,;23.22,-44.14,;21.89,-43.37,;20.56,-44.14,;20.56,-45.68,;21.89,-46.45,;23.22,-45.68,;24.56,-46.45,;25.89,-39.52,;27.22,-38.75,;28.56,-39.52,;27.22,-37.21,;25.89,-36.44,;25.89,-34.9,;27.22,-34.13,;28.56,-34.9,;28.56,-36.44,;32.56,-43.37,;33.89,-44.14,)|
Show InChI InChI=1S/C25H28FN5O/c26-21-9-5-4-8-20(21)16-28-23-14-22(18-6-2-1-3-7-18)30-25(31-23)29-15-17-10-12-19(13-11-17)24(27)32/h1-9,14,17,19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,19-
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n/an/a 1.69E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040531
PNG
(CHEMBL3361204)
Show SMILES Cc1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:17.20,wD:14.13,(56.11,-15.91,;57.45,-15.14,;58.78,-15.91,;60.11,-15.14,;60.11,-13.6,;61.45,-12.83,;61.45,-11.29,;62.78,-10.52,;62.78,-8.98,;64.11,-8.21,;65.45,-8.98,;65.45,-10.52,;66.79,-11.29,;66.79,-12.83,;68.11,-13.6,;68.11,-15.14,;69.45,-15.91,;70.79,-15.14,;70.79,-13.6,;69.45,-12.83,;72.12,-15.91,;73.45,-15.14,;72.12,-17.45,;64.11,-11.29,;64.11,-6.67,;62.78,-5.9,;62.78,-4.36,;64.11,-3.59,;65.45,-4.36,;65.45,-5.9,;58.78,-12.83,;57.45,-13.6,)|
Show InChI InChI=1S/C26H31N5O/c1-18-7-9-19(10-8-18)16-28-24-15-23(21-5-3-2-4-6-21)30-26(31-24)29-17-20-11-13-22(14-12-20)25(27)32/h2-10,15,20,22H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t20-,22-
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n/an/a 2.18E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040552
PNG
(CHEMBL3361183)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)-c2ccoc2)CC1 |r,wU:3.2,wD:6.6,(18.04,-52.45,;16.71,-53.22,;16.71,-54.76,;15.37,-52.45,;14.04,-53.22,;12.71,-52.45,;12.71,-50.91,;11.37,-50.14,;10.04,-50.91,;8.7,-50.14,;7.37,-50.91,;6.04,-50.14,;6.04,-48.6,;7.37,-47.83,;8.7,-48.6,;7.37,-46.29,;6.04,-45.52,;6.04,-43.98,;7.37,-43.21,;8.7,-43.98,;8.7,-45.52,;4.7,-50.91,;4.54,-52.45,;3.03,-52.77,;2.26,-51.43,;3.29,-50.29,;14.04,-50.14,;15.37,-50.91,)|
Show InChI InChI=1S/C22H23N3O3/c26-21(27)17-8-6-15(7-9-17)13-23-22-24-19(16-4-2-1-3-5-16)12-20(25-22)18-10-11-28-14-18/h1-5,10-12,14-15,17H,6-9,13H2,(H,26,27)(H,23,24,25)/t15-,17-
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n/an/a 2.19E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040559
PNG
(CHEMBL3361176)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(63.15,-9.74,;61.82,-10.51,;61.82,-12.05,;60.48,-9.74,;59.15,-10.51,;57.82,-9.74,;57.82,-8.2,;56.48,-7.43,;55.15,-8.2,;53.81,-7.43,;53.81,-5.89,;52.48,-5.12,;51.15,-5.89,;51.15,-7.43,;52.48,-8.2,;49.81,-8.2,;49.81,-9.74,;48.48,-10.51,;47.15,-9.74,;47.15,-8.2,;48.48,-7.43,;45.81,-10.51,;44.48,-9.74,;45.81,-12.05,;52.48,-3.58,;51.15,-2.81,;51.15,-1.27,;52.48,-.5,;53.81,-1.27,;53.81,-2.81,;59.15,-7.43,;60.48,-8.2,)|
Show InChI InChI=1S/C24H24N4O4/c29-23(30)19-8-6-16(7-9-19)15-25-24-26-21(17-4-2-1-3-5-17)14-22(27-24)18-10-12-20(13-11-18)28(31)32/h1-5,10-14,16,19H,6-9,15H2,(H,29,30)(H,25,26,27)/t16-,19-
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n/an/a 2.19E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040530
PNG
(CHEMBL3361205)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(F)cc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(17.65,-31.18,;16.31,-31.95,;16.31,-33.49,;14.98,-31.18,;13.65,-31.95,;12.31,-31.18,;12.31,-29.64,;10.98,-28.87,;10.98,-27.33,;9.65,-26.56,;8.31,-27.33,;6.98,-26.56,;5.65,-27.33,;5.65,-28.87,;4.31,-29.64,;4.31,-31.18,;2.97,-31.95,;1.64,-31.18,;.31,-31.95,;1.64,-29.64,;2.97,-28.87,;6.98,-25.02,;8.31,-24.25,;9.65,-25.02,;8.31,-22.71,;6.98,-21.94,;6.98,-20.4,;8.31,-19.63,;9.65,-20.4,;9.65,-21.94,;13.65,-28.87,;14.98,-29.64,)|
Show InChI InChI=1S/C25H28FN5O/c26-21-12-8-18(9-13-21)15-28-23-14-22(19-4-2-1-3-5-19)30-25(31-23)29-16-17-6-10-20(11-7-17)24(27)32/h1-5,8-9,12-14,17,20H,6-7,10-11,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-
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n/an/a 2.43E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040714
PNG
(CHEMBL3360650)
Show SMILES Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(33.52,-28.33,;33.52,-29.87,;34.85,-30.64,;34.85,-32.18,;33.52,-32.95,;32.19,-32.18,;30.85,-32.95,;29.52,-32.18,;28.19,-32.95,;26.85,-32.18,;25.51,-32.95,;25.51,-34.49,;26.85,-35.26,;28.19,-34.49,;24.19,-35.26,;22.85,-34.49,;24.19,-36.8,;32.19,-30.64,;36.19,-32.95,;37.52,-32.18,;38.85,-32.95,;38.85,-34.49,;37.52,-35.26,;36.19,-34.49,)|
Show InChI InChI=1S/C19H23N3O2/c1-13-11-17(15-5-3-2-4-6-15)22-19(21-13)20-12-14-7-9-16(10-8-14)18(23)24/h2-6,11,14,16H,7-10,12H2,1H3,(H,23,24)(H,20,21,22)/t14-,16-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040704
PNG
(CHEMBL3360658)
Show SMILES Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccc(Cl)cc1 |r,wU:11.14,wD:8.7,(44.91,-50.88,;44.91,-52.42,;43.58,-53.19,;43.58,-54.73,;44.91,-55.5,;46.24,-54.73,;47.58,-55.5,;48.91,-54.73,;50.24,-55.5,;50.24,-57.04,;51.58,-57.81,;52.91,-57.04,;52.91,-55.5,;51.58,-54.73,;54.24,-57.81,;55.58,-57.04,;54.24,-59.35,;46.24,-53.19,;42.24,-55.5,;42.24,-57.04,;40.9,-57.81,;39.58,-57.04,;38.24,-57.81,;39.58,-55.5,;40.9,-54.73,)|
Show InChI InChI=1S/C19H22ClN3O2/c1-12-10-17(14-6-8-16(20)9-7-14)23-19(22-12)21-11-13-2-4-15(5-3-13)18(24)25/h6-10,13,15H,2-5,11H2,1H3,(H,24,25)(H,21,22,23)/t13-,15-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040707
PNG
(CHEMBL3360657)
Show SMILES Cc1ccc(cc1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:18.22,wD:15.15,(46.28,-10.77,;45.52,-12.1,;46.3,-13.44,;45.54,-14.78,;44,-14.78,;43.21,-13.46,;43.97,-12.12,;43.23,-16.13,;41.69,-16.13,;40.92,-17.46,;39.38,-17.46,;41.69,-18.79,;43.23,-18.79,;44,-20.12,;43.23,-21.45,;44,-22.79,;43.23,-24.12,;44,-25.46,;45.54,-25.46,;46.31,-24.12,;45.54,-22.79,;46.31,-26.79,;45.54,-28.13,;47.85,-26.79,;44,-17.46,)|
Show InChI InChI=1S/C20H25N3O2/c1-13-3-7-16(8-4-13)18-11-14(2)22-20(23-18)21-12-15-5-9-17(10-6-15)19(24)25/h3-4,7-8,11,15,17H,5-6,9-10,12H2,1-2H3,(H,24,25)(H,21,22,23)/t15-,17-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040535
PNG
(CHEMBL3361200)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(Cl)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(72.01,-56.47,;70.67,-57.24,;70.67,-58.78,;69.34,-56.47,;68.01,-57.24,;66.67,-56.47,;66.67,-54.93,;65.34,-54.16,;65.34,-52.62,;64.01,-51.85,;62.67,-52.62,;61.34,-51.85,;60,-52.62,;60,-54.16,;58.67,-54.93,;57.34,-54.16,;56,-54.93,;56,-56.47,;57.34,-57.24,;57.34,-58.78,;58.67,-56.47,;61.34,-50.31,;62.67,-49.54,;64.01,-50.31,;62.67,-48,;61.34,-47.23,;61.34,-45.69,;62.67,-44.92,;64.01,-45.69,;64.01,-47.23,;68.01,-54.16,;69.34,-54.93,)|
Show InChI InChI=1S/C25H28ClN5O/c26-21-8-4-5-18(13-21)16-28-23-14-22(19-6-2-1-3-7-19)30-25(31-23)29-15-17-9-11-20(12-10-17)24(27)32/h1-8,13-14,17,20H,9-12,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-
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n/an/a 2.76E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040686
PNG
(CHEMBL3360665)
Show SMILES COc1ccccc1-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:18.22,wD:15.15,(55.67,-27.16,;54.33,-27.93,;54.33,-29.47,;55.67,-30.23,;55.67,-31.77,;54.33,-32.54,;53,-31.77,;53,-30.23,;51.67,-29.47,;50.34,-30.23,;49,-29.47,;49,-27.93,;50.34,-27.16,;50.34,-25.62,;49,-24.85,;49,-23.31,;50.34,-22.54,;50.34,-21,;49,-20.23,;47.67,-21,;47.67,-22.54,;49,-18.69,;47.67,-17.92,;50.34,-17.92,;51.67,-27.93,;47.67,-30.23,;47.67,-31.77,;46.34,-32.54,;45.01,-31.77,;45.01,-30.23,;46.34,-29.47,)|
Show InChI InChI=1S/C25H27N3O3/c1-31-23-10-6-5-9-20(23)22-15-21(18-7-3-2-4-8-18)27-25(28-22)26-16-17-11-13-19(14-12-17)24(29)30/h2-10,15,17,19H,11-14,16H2,1H3,(H,29,30)(H,26,27,28)/t17-,19-
PDB

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n/an/a 3.04E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040527
PNG
(CHEMBL3361206)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(Cl)cc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.84,-32.52,;36.51,-33.29,;36.51,-34.83,;35.17,-32.52,;33.83,-33.29,;32.51,-32.52,;32.51,-30.98,;31.17,-30.21,;31.17,-28.67,;29.84,-27.9,;28.51,-28.67,;27.17,-27.9,;25.84,-28.67,;25.84,-30.21,;24.5,-30.98,;24.5,-32.52,;23.17,-33.29,;21.84,-32.52,;20.5,-33.29,;21.84,-30.98,;23.17,-30.21,;27.17,-26.36,;28.51,-25.59,;29.84,-26.36,;28.51,-24.05,;27.17,-23.28,;27.17,-21.74,;28.51,-20.97,;29.84,-21.74,;29.84,-23.28,;33.83,-30.21,;35.17,-30.98,)|
Show InChI InChI=1S/C25H28ClN5O/c26-21-12-8-18(9-13-21)15-28-23-14-22(19-4-2-1-3-5-19)30-25(31-23)29-16-17-6-10-20(11-7-17)24(27)32/h1-5,8-9,12-14,17,20H,6-7,10-11,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,20-
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n/an/a 3.47E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040549
PNG
(CHEMBL3361186)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(NC3CCCCC3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(15.35,-12.94,;14.02,-13.71,;14.02,-15.25,;12.68,-12.94,;11.34,-13.71,;10.01,-12.94,;10.01,-11.4,;8.68,-10.63,;8.68,-9.09,;7.35,-8.32,;6.01,-9.09,;4.68,-8.32,;3.34,-9.09,;3.34,-10.63,;4.68,-11.4,;4.68,-12.94,;3.34,-13.71,;2.01,-12.94,;2.01,-11.4,;4.68,-6.78,;6.01,-6.01,;7.35,-6.78,;6.01,-4.47,;4.68,-3.7,;4.68,-2.16,;6.01,-1.39,;7.35,-2.16,;7.35,-3.7,;11.34,-10.63,;12.68,-11.4,)|
Show InChI InChI=1S/C24H32N4O2/c29-23(30)19-13-11-17(12-14-19)16-25-24-27-21(18-7-3-1-4-8-18)15-22(28-24)26-20-9-5-2-6-10-20/h1,3-4,7-8,15,17,19-20H,2,5-6,9-14,16H2,(H,29,30)(H2,25,26,27,28)/t17-,19-
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n/an/a 4.31E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040533
PNG
(CHEMBL3361202)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(c3)[N+]([O-])=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(38.33,-15.23,;36.99,-16,;36.99,-17.54,;35.66,-15.23,;34.33,-16,;33,-15.23,;33,-13.69,;31.66,-12.92,;31.66,-11.38,;30.33,-10.61,;28.99,-11.38,;27.66,-10.61,;26.33,-11.38,;26.33,-12.92,;25,-13.69,;23.66,-12.92,;22.32,-13.69,;22.32,-15.23,;23.66,-16,;25,-15.23,;23.66,-17.54,;22.32,-18.31,;25,-18.31,;27.66,-9.07,;28.99,-8.3,;30.33,-9.07,;28.99,-6.76,;27.66,-5.99,;27.66,-4.45,;28.99,-3.68,;30.33,-4.45,;30.33,-5.99,;34.33,-12.92,;35.66,-13.69,)|
Show InChI InChI=1S/C25H28N6O3/c26-24(32)20-11-9-17(10-12-20)15-28-25-29-22(19-6-2-1-3-7-19)14-23(30-25)27-16-18-5-4-8-21(13-18)31(33)34/h1-8,13-14,17,20H,9-12,15-16H2,(H2,26,32)(H2,27,28,29,30)/t17-,20-
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n/an/a 4.61E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040709
PNG
(CHEMBL3360655)
Show SMILES Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1cccc(Cl)c1 |r,wU:11.14,wD:8.7,(60.84,-40.07,;60.84,-41.61,;59.51,-42.38,;59.51,-43.92,;60.84,-44.69,;62.18,-43.92,;63.51,-44.69,;64.84,-43.92,;66.18,-44.69,;66.18,-46.23,;67.51,-47,;68.84,-46.23,;68.84,-44.69,;67.51,-43.92,;70.18,-47,;71.51,-46.23,;70.18,-48.54,;62.18,-42.38,;58.17,-44.69,;56.84,-43.92,;55.51,-44.69,;55.51,-46.23,;56.84,-47,;56.84,-48.54,;58.17,-46.23,)|
Show InChI InChI=1S/C19H22ClN3O2/c1-12-9-17(15-3-2-4-16(20)10-15)23-19(22-12)21-11-13-5-7-14(8-6-13)18(24)25/h2-4,9-10,13-14H,5-8,11H2,1H3,(H,24,25)(H,21,22,23)/t13-,14-
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n/an/a 4.80E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040725
PNG
(CHEMBL1404283)
Show SMILES Cc1cc(nc(SCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S/c1-13-11-17(15-5-3-2-4-6-15)21-19(20-13)24-12-14-7-9-16(10-8-14)18(22)23/h2-11H,12H2,1H3,(H,22,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040526
PNG
(CHEMBL3361207)
Show SMILES COc1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:18.21,wD:15.14,(46.75,-32.85,;48.09,-33.62,;49.42,-32.85,;50.76,-33.62,;52.09,-32.85,;52.09,-31.31,;53.43,-30.54,;53.43,-29,;54.76,-28.23,;54.76,-26.69,;56.09,-25.92,;57.43,-26.69,;57.43,-28.23,;58.76,-29,;58.76,-30.54,;60.09,-31.31,;60.09,-32.85,;61.43,-33.62,;62.76,-32.85,;62.76,-31.31,;61.43,-30.54,;64.09,-33.62,;65.43,-32.85,;64.09,-35.16,;56.09,-29,;56.09,-24.38,;54.76,-23.61,;54.76,-22.07,;56.09,-21.3,;57.43,-22.07,;57.43,-23.61,;50.76,-30.54,;49.42,-31.31,)|
Show InChI InChI=1S/C26H31N5O2/c1-33-22-13-9-19(10-14-22)16-28-24-15-23(20-5-3-2-4-6-20)30-26(31-24)29-17-18-7-11-21(12-8-18)25(27)32/h2-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,21-
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n/an/a 5.04E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040519
PNG
(CHEMBL3361208)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccc(cc3)S(N)(=O)=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(17.94,-50.49,;16.6,-51.26,;16.6,-52.8,;15.27,-50.49,;13.94,-51.26,;12.6,-50.49,;12.6,-48.95,;11.27,-48.18,;9.94,-48.95,;8.6,-48.18,;8.6,-46.64,;7.27,-45.87,;7.27,-44.33,;8.6,-43.56,;8.6,-42.02,;7.27,-41.25,;7.27,-39.71,;8.6,-38.94,;9.94,-39.71,;9.94,-41.25,;8.6,-37.4,;7.27,-36.63,;10.14,-37.4,;9.69,-36.31,;5.93,-46.64,;5.93,-48.18,;7.27,-48.95,;4.6,-48.95,;4.6,-50.49,;3.27,-51.26,;1.93,-50.49,;1.93,-48.95,;3.27,-48.18,;13.94,-48.18,;15.27,-48.95,)|
Show InChI InChI=1S/C25H30N6O3S/c26-24(32)20-10-6-17(7-11-20)16-29-25-30-22(19-4-2-1-3-5-19)14-23(31-25)28-15-18-8-12-21(13-9-18)35(27,33)34/h1-5,8-9,12-14,17,20H,6-7,10-11,15-16H2,(H2,26,32)(H2,27,33,34)(H2,28,29,30,31)/t17-,20-
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n/an/a 5.17E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040534
PNG
(CHEMBL3361201)
Show SMILES COc1cccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)c1 |r,wU:19.22,wD:16.15,(1.05,-15.69,;2.38,-14.92,;2.38,-13.38,;1.05,-12.61,;1.05,-11.07,;2.38,-10.3,;3.71,-11.07,;5.05,-10.3,;5.05,-8.76,;6.38,-7.99,;6.38,-6.45,;7.71,-5.68,;9.05,-6.45,;9.05,-7.99,;10.38,-8.76,;10.38,-10.3,;11.71,-11.07,;11.71,-12.61,;13.05,-13.38,;14.39,-12.61,;14.39,-11.07,;13.05,-10.3,;15.71,-13.38,;17.05,-12.61,;15.71,-14.92,;7.71,-8.76,;7.71,-4.14,;6.38,-3.37,;6.38,-1.83,;7.71,-1.06,;9.05,-1.83,;9.05,-3.37,;3.71,-12.61,)|
Show InChI InChI=1S/C26H31N5O2/c1-33-22-9-5-6-19(14-22)17-28-24-15-23(20-7-3-2-4-8-20)30-26(31-24)29-16-18-10-12-21(13-11-18)25(27)32/h2-9,14-15,18,21H,10-13,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,21-
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n/an/a 5.65E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040540
PNG
(CHEMBL3361195)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(56.34,-47.7,;55.01,-48.47,;55.01,-50.01,;53.68,-47.7,;52.34,-48.47,;51.01,-47.7,;51.01,-46.16,;49.68,-45.39,;49.68,-43.85,;48.34,-43.08,;47.01,-43.85,;45.68,-43.08,;44.34,-43.85,;44.34,-45.39,;43,-46.16,;41.68,-45.39,;40.34,-46.16,;40.34,-47.7,;41.68,-48.47,;43,-47.7,;44.34,-48.47,;45.68,-41.54,;47.01,-40.77,;48.34,-41.54,;47.01,-39.23,;45.68,-38.46,;45.68,-36.92,;47.01,-36.15,;48.34,-36.92,;48.34,-38.46,;52.34,-45.39,;53.68,-46.16,)|
Show InChI InChI=1S/C25H28ClN5O/c26-21-9-5-4-8-20(21)16-28-23-14-22(18-6-2-1-3-7-18)30-25(31-23)29-15-17-10-12-19(13-11-17)24(27)32/h1-9,14,17,19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,19-
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n/an/a 6.94E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040539
PNG
(CHEMBL3361196)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Br)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(72.82,-48.43,;71.48,-49.2,;71.48,-50.74,;70.15,-48.43,;68.82,-49.2,;67.48,-48.43,;67.48,-46.89,;66.15,-46.12,;66.15,-44.58,;64.82,-43.81,;63.48,-44.58,;62.15,-43.81,;60.82,-44.58,;60.82,-46.12,;59.48,-46.89,;58.15,-46.12,;56.82,-46.89,;56.82,-48.43,;58.15,-49.2,;59.48,-48.43,;60.82,-49.2,;62.15,-42.27,;63.48,-41.5,;64.82,-42.27,;63.48,-39.96,;62.15,-39.19,;62.15,-37.65,;63.48,-36.88,;64.82,-37.65,;64.82,-39.19,;68.82,-46.12,;70.15,-46.89,)|
Show InChI InChI=1S/C25H28BrN5O/c26-21-9-5-4-8-20(21)16-28-23-14-22(18-6-2-1-3-7-18)30-25(31-23)29-15-17-10-12-19(13-11-17)24(27)32/h1-9,14,17,19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t17-,19-
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n/an/a 7.11E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040532
PNG
(CHEMBL3361203)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(c3)S(N)(=O)=O)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(55.28,-13.6,;53.95,-14.37,;53.95,-15.91,;52.61,-13.6,;51.28,-14.37,;49.94,-13.6,;49.94,-12.06,;48.62,-11.29,;47.28,-12.06,;45.94,-11.29,;45.94,-9.75,;44.61,-8.98,;44.61,-7.44,;45.94,-6.67,;45.94,-5.13,;47.28,-4.36,;47.28,-2.82,;45.94,-2.05,;44.61,-2.82,;44.61,-4.36,;43.28,-2.05,;41.94,-2.82,;42.51,-.71,;44.05,-.71,;43.28,-9.75,;43.28,-11.29,;44.61,-12.06,;41.94,-12.06,;41.94,-13.6,;40.61,-14.37,;39.28,-13.6,;39.28,-12.06,;40.61,-11.29,;51.28,-11.29,;52.61,-12.06,)|
Show InChI InChI=1S/C25H30N6O3S/c26-24(32)20-11-9-17(10-12-20)15-29-25-30-22(19-6-2-1-3-7-19)14-23(31-25)28-16-18-5-4-8-21(13-18)35(27,33)34/h1-8,13-14,17,20H,9-12,15-16H2,(H2,26,32)(H2,27,33,34)(H2,28,29,30,31)/t17-,20-
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n/an/a 7.61E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040703
PNG
(CHEMBL3360659)
Show SMILES Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccc(F)cc1 |r,wU:11.14,wD:8.7,(8.6,-.73,;8.6,-2.27,;7.27,-3.04,;7.27,-4.58,;8.6,-5.35,;9.94,-4.58,;11.28,-5.35,;12.61,-4.58,;13.94,-5.35,;13.94,-6.89,;15.28,-7.66,;16.61,-6.89,;16.61,-5.35,;15.28,-4.58,;17.94,-7.66,;19.28,-6.89,;17.94,-9.2,;9.94,-3.04,;5.94,-5.35,;5.94,-6.89,;4.61,-7.66,;3.27,-6.89,;1.94,-7.66,;3.27,-5.35,;4.61,-4.58,)|
Show InChI InChI=1S/C19H22FN3O2/c1-12-10-17(14-6-8-16(20)9-7-14)23-19(22-12)21-11-13-2-4-15(5-3-13)18(24)25/h6-10,13,15H,2-5,11H2,1H3,(H,24,25)(H,21,22,23)/t13-,15-
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n/an/a 8.40E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040713
PNG
(CHEMBL3360651)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nccc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(39.47,-32.46,;40.8,-31.69,;40.8,-30.15,;42.14,-32.46,;43.47,-31.69,;44.8,-32.46,;44.8,-34,;46.14,-34.77,;47.47,-34,;48.81,-34.77,;48.81,-36.31,;50.14,-37.08,;51.47,-36.31,;51.47,-34.77,;50.14,-34,;52.81,-34,;52.81,-32.46,;54.13,-31.69,;55.47,-32.46,;55.47,-34,;54.13,-34.77,;43.47,-34.77,;42.14,-34,)|
Show InChI InChI=1S/C18H21N3O2/c22-17(23)15-8-6-13(7-9-15)12-20-18-19-11-10-16(21-18)14-4-2-1-3-5-14/h1-5,10-11,13,15H,6-9,12H2,(H,22,23)(H,19,20,21)/t13-,15-
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n/an/a 8.70E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040538
PNG
(CHEMBL3361197)
Show SMILES COc1ccccc1CNc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(7.22,-54.69,;7.22,-53.15,;5.89,-52.38,;4.56,-53.15,;3.22,-52.38,;3.22,-50.84,;4.56,-50.07,;5.89,-50.84,;7.22,-50.07,;7.22,-48.53,;8.55,-47.76,;8.55,-46.22,;9.89,-45.45,;11.22,-46.22,;11.22,-47.76,;12.56,-48.53,;12.56,-50.07,;13.89,-50.84,;13.89,-52.38,;15.22,-53.15,;16.55,-52.38,;16.55,-50.84,;15.22,-50.07,;17.89,-53.15,;19.22,-52.38,;17.89,-54.69,;9.89,-48.53,;9.89,-43.91,;8.55,-43.14,;8.55,-41.6,;9.89,-40.83,;11.22,-41.6,;11.22,-43.14,)|
Show InChI InChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-21(23)17-28-24-15-22(19-7-3-2-4-8-19)30-26(31-24)29-16-18-11-13-20(14-12-18)25(27)32/h2-10,15,18,20H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,20-
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n/an/a 8.86E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040542
PNG
(CHEMBL3361193)
Show SMILES Cc1ccccc1CNc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1)-c1ccccc1 |r,wU:19.23,wD:16.16,(5.87,-44.04,;4.53,-43.27,;3.2,-44.04,;1.87,-43.27,;1.87,-41.73,;3.2,-40.96,;4.53,-41.73,;5.87,-40.96,;5.87,-39.42,;7.2,-38.65,;7.2,-37.11,;8.53,-36.34,;9.87,-37.11,;9.87,-38.65,;11.21,-39.42,;11.21,-40.96,;12.53,-41.73,;12.53,-43.27,;13.87,-44.04,;15.2,-43.27,;15.2,-41.73,;13.87,-40.96,;16.54,-44.04,;17.87,-43.27,;16.54,-45.58,;8.53,-39.42,;8.53,-34.8,;7.2,-34.03,;7.2,-32.49,;8.53,-31.72,;9.87,-32.49,;9.87,-34.03,)|
Show InChI InChI=1S/C26H31N5O/c1-18-7-5-6-10-22(18)17-28-24-15-23(20-8-3-2-4-9-20)30-26(31-24)29-16-19-11-13-21(14-12-19)25(27)32/h2-10,15,19,21H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t19-,21-
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n/an/a 9.29E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040548
PNG
(CHEMBL3361187)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccccc2)N2CCOCC2)CC1 |r,wU:3.2,wD:6.6,(33.62,-11.9,;32.29,-12.67,;32.29,-14.21,;30.96,-11.9,;29.62,-12.67,;28.3,-11.9,;28.3,-10.36,;26.96,-9.59,;25.63,-10.36,;24.3,-9.59,;22.97,-10.36,;21.63,-9.59,;21.63,-8.06,;22.97,-7.29,;24.3,-8.06,;22.97,-5.75,;21.63,-4.98,;21.63,-3.44,;22.97,-2.67,;24.3,-3.44,;24.3,-4.98,;20.3,-10.36,;20.3,-11.9,;18.97,-12.67,;17.63,-11.9,;17.63,-10.36,;18.97,-9.59,;29.62,-9.59,;30.96,-10.36,)|
Show InChI InChI=1S/C22H28N4O3/c27-21(28)18-8-6-16(7-9-18)15-23-22-24-19(17-4-2-1-3-5-17)14-20(25-22)26-10-12-29-13-11-26/h1-5,14,16,18H,6-13,15H2,(H,27,28)(H,23,24,25)/t16-,18-
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040514
PNG
(CHEMBL3361209)
Show SMILES CS(=O)(=O)c1ccc(CNc2cc(nc(NC[C@H]3CC[C@@H](CC3)C(N)=O)n2)-c2ccccc2)cc1 |r,wU:20.23,wD:17.16,(22.66,-52.13,;24.14,-52.53,;24.91,-53.86,;23.37,-53.86,;25.48,-51.76,;26.81,-52.53,;28.14,-51.76,;28.14,-50.22,;29.48,-49.45,;29.48,-47.91,;30.81,-47.14,;30.81,-45.6,;32.14,-44.83,;33.48,-45.6,;33.48,-47.14,;34.81,-47.91,;34.81,-49.45,;36.14,-50.22,;36.14,-51.76,;37.48,-52.53,;38.82,-51.76,;38.82,-50.22,;37.48,-49.45,;40.14,-52.53,;41.48,-51.76,;40.14,-54.07,;32.14,-47.91,;32.14,-43.29,;30.81,-42.52,;30.81,-40.98,;32.14,-40.21,;33.48,-40.98,;33.48,-42.52,;26.81,-49.45,;25.48,-50.22,)|
Show InChI InChI=1S/C26H31N5O3S/c1-35(33,34)22-13-9-19(10-14-22)16-28-24-15-23(20-5-3-2-4-6-20)30-26(31-24)29-17-18-7-11-21(12-8-18)25(27)32/h2-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,21-
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040710
PNG
(CHEMBL3360654)
Show SMILES Cc1cccc(c1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:18.22,wD:15.15,(56.29,-41.05,;56.29,-42.59,;57.63,-43.37,;57.63,-44.91,;56.29,-45.68,;54.96,-44.91,;54.96,-43.37,;53.62,-45.68,;53.62,-47.22,;52.3,-47.99,;52.3,-49.53,;50.96,-47.22,;50.96,-45.68,;49.62,-44.91,;48.29,-45.68,;46.96,-44.91,;46.96,-43.37,;45.62,-42.59,;44.29,-43.37,;44.29,-44.91,;45.62,-45.68,;42.96,-42.59,;41.62,-43.37,;42.96,-41.05,;52.3,-44.91,)|
Show InChI InChI=1S/C20H25N3O2/c1-13-4-3-5-17(10-13)18-11-14(2)22-20(23-18)21-12-15-6-8-16(9-7-15)19(24)25/h3-5,10-11,15-16H,6-9,12H2,1-2H3,(H,24,25)(H,21,22,23)/t15-,16-
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n/an/a 1.14E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040716
PNG
(CHEMBL3360648)
Show SMILES Cc1cc(nc(NCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-13-11-17(15-5-3-2-4-6-15)22-19(21-13)20-12-14-7-9-16(10-8-14)18(23)24/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040721
PNG
(CHEMBL3360644)
Show SMILES Cc1cc(nc(SCCc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2S/c1-14-13-18(16-5-3-2-4-6-16)22-20(21-14)25-12-11-15-7-9-17(10-8-15)19(23)24/h2-10,13H,11-12H2,1H3,(H,23,24)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040724
PNG
(CHEMBL3360642)
Show SMILES Cc1cc(nc(SCc2ccc(cc2)C(=O)NS(=O)(=O)C(F)(F)F)n1)-c1ccccc1
Show InChI InChI=1S/C20H16F3N3O3S2/c1-13-11-17(15-5-3-2-4-6-15)25-19(24-13)30-12-14-7-9-16(10-8-14)18(27)26-31(28,29)20(21,22)23/h2-11H,12H2,1H3,(H,26,27)
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n/an/a 2.16E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040700
PNG
(CHEMBL3360660)
Show SMILES COc1ccc(cc1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(49.52,-52.23,;50.85,-53,;52.19,-52.23,;53.52,-53,;54.85,-52.23,;54.85,-50.69,;53.52,-49.92,;52.19,-50.69,;56.19,-49.92,;56.19,-48.38,;57.53,-47.61,;57.53,-46.07,;58.85,-48.38,;58.85,-49.92,;60.19,-50.69,;61.53,-49.92,;62.86,-50.69,;62.86,-52.23,;64.19,-53,;65.53,-52.23,;65.53,-50.69,;64.19,-49.92,;66.86,-53,;68.19,-52.23,;66.86,-54.54,;57.53,-50.69,)|
Show InChI InChI=1S/C20H25N3O3/c1-13-11-18(15-7-9-17(26-2)10-8-15)23-20(22-13)21-12-14-3-5-16(6-4-14)19(24)25/h7-11,14,16H,3-6,12H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,16-
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n/an/a>3.70E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040720
PNG
(CHEMBL3360645)
Show SMILES Cc1cc(nc(Sc2ccc(cc2)C(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S/c1-12-11-16(13-5-3-2-4-6-13)20-18(19-12)23-15-9-7-14(8-10-15)17(21)22/h2-11H,1H3,(H,21,22)
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n/an/a>3.70E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040718
PNG
(CHEMBL3360647)
Show SMILES Cc1cc(nc(n1)S(=O)(=O)Cc1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4S/c1-13-11-17(15-5-3-2-4-6-15)21-19(20-13)26(24,25)12-14-7-9-16(10-8-14)18(22)23/h2-11H,12H2,1H3,(H,22,23)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040715
PNG
(CHEMBL3360649)
Show SMILES Cc1cc(nc(NCc2cccc(c2)C(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-13-10-17(15-7-3-2-4-8-15)22-19(21-13)20-12-14-6-5-9-16(11-14)18(23)24/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040719
PNG
(CHEMBL3360646)
Show SMILES Cc1cc(nc(SCCC(O)=O)n1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O2S/c1-10-9-12(11-5-3-2-4-6-11)16-14(15-10)19-8-7-13(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040711
PNG
(CHEMBL3360653)
Show SMILES COc1ccccc1-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(27.88,-46.99,;27.88,-45.45,;26.55,-44.68,;25.22,-45.45,;23.88,-44.68,;23.88,-43.14,;25.22,-42.37,;26.55,-43.14,;27.88,-42.37,;27.88,-40.83,;29.22,-40.06,;29.22,-38.53,;30.55,-40.83,;30.55,-42.37,;31.88,-43.14,;33.22,-42.37,;34.54,-43.14,;34.54,-44.68,;35.88,-45.45,;37.21,-44.68,;37.21,-43.14,;35.88,-42.37,;38.55,-45.45,;39.88,-44.68,;38.55,-46.99,;29.22,-43.14,)|
Show InChI InChI=1S/C20H25N3O3/c1-13-11-17(16-5-3-4-6-18(16)26-2)23-20(22-13)21-12-14-7-9-15(10-8-14)19(24)25/h3-6,11,14-15H,7-10,12H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,15-
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n/an/a>3.70E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040723
PNG
(CHEMBL3360643)
Show SMILES Cc1cc(nc(SCc2ccccc2)n1)-c1ccccc1
Show InChI InChI=1S/C18H16N2S/c1-14-12-17(16-10-6-3-7-11-16)20-18(19-14)21-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3
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n/an/a>3.70E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040712
PNG
(CHEMBL3360652)
Show SMILES Cc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1C |r,wU:11.14,wD:8.7,(13.98,-48.31,;13.98,-46.77,;15.31,-46,;15.31,-44.46,;13.98,-43.69,;12.65,-44.46,;11.31,-43.69,;9.98,-44.46,;8.65,-43.69,;8.65,-42.15,;7.31,-41.37,;5.98,-42.15,;5.98,-43.69,;7.31,-44.46,;4.64,-41.37,;3.31,-42.15,;4.64,-39.83,;12.65,-46,;16.65,-43.69,;17.98,-44.46,;19.31,-43.69,;19.31,-42.15,;17.98,-41.37,;16.65,-42.15,;15.31,-41.38,)|
Show InChI InChI=1S/C20H25N3O2/c1-13-5-3-4-6-17(13)18-11-14(2)22-20(23-18)21-12-15-7-9-16(10-8-15)19(24)25/h3-6,11,15-16H,7-10,12H2,1-2H3,(H,24,25)(H,21,22,23)/t15-,16-
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Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50040708
PNG
(CHEMBL3360656)
Show SMILES COc1cccc(c1)-c1cc(C)nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:19.23,wD:16.16,(7.31,-56.38,;8.64,-55.61,;8.64,-54.08,;7.31,-53.31,;7.31,-51.77,;8.64,-51,;9.97,-51.77,;9.97,-53.31,;11.3,-51,;11.3,-49.46,;12.64,-48.69,;12.64,-47.15,;13.97,-49.46,;13.97,-51,;15.3,-51.77,;16.64,-51,;17.97,-51.77,;17.97,-53.31,;19.3,-54.08,;20.64,-53.31,;20.64,-51.77,;19.3,-51,;21.97,-54.08,;23.3,-53.31,;21.97,-55.61,;12.64,-51.77,)|
Show InChI InChI=1S/C20H25N3O3/c1-13-10-18(16-4-3-5-17(11-16)26-2)23-20(22-13)21-12-14-6-8-15(9-7-14)19(24)25/h3-5,10-11,14-15H,6-9,12H2,1-2H3,(H,24,25)(H,21,22,23)/t14-,15-
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antibodypedia
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UniChem

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PubMed
n/an/a>3.70E+4n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...

J Med Chem 57: 10443-54 (2014)


Article DOI: 10.1021/jm501313x
BindingDB Entry DOI: 10.7270/Q2T1558Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%