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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'chen' and Initial = 'nn'   
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
Endoplasmin


(Canis familiaris)
BDBM50005782
PNG
(ATI-13387X | ONALESPIB)
Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Show InChI InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50450705
PNG
(CHEMBL4170630)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:17.18,wD:14.14,(9.51,-16.49,;8.17,-17.26,;6.85,-16.49,;8.17,-18.8,;9.5,-19.57,;9.5,-21.11,;8.16,-21.88,;6.83,-21.12,;6.83,-19.57,;8.16,-23.42,;6.82,-24.19,;6.82,-25.73,;8.15,-26.5,;8.15,-28.04,;6.81,-28.8,;5.48,-28.03,;4.14,-28.8,;4.14,-30.35,;2.81,-31.12,;5.48,-31.11,;6.81,-30.35,;9.49,-25.73,;9.49,-24.18,;10.82,-26.51,;12.16,-25.74,;10.82,-28.05,)|
Show InChI InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)/t18-,19-
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587115
PNG
(CHEMBL5093243)
Show SMILES CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(47.16,-21.25,;45.83,-20.47,;45.85,-18.93,;44.52,-18.15,;44.53,-16.61,;44.55,-15.07,;44.55,-13.53,;45.89,-12.76,;45.88,-11.21,;44.55,-10.44,;44.54,-8.9,;45.87,-8.13,;45.87,-6.6,;47.21,-5.83,;48.54,-6.6,;49.88,-5.83,;48.54,-8.14,;47.21,-8.9,;43.22,-11.22,;43.22,-12.76,;41.88,-10.45,;40.55,-11.22,;41.88,-8.91,)|
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587119
PNG
(CHEMBL5089044)
Show SMILES NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CCCC1 |r,wU:10.10,wD:13.14,(17.3,-30.54,;18.63,-29.77,;18.63,-28.23,;19.96,-30.54,;19.96,-32.09,;21.29,-32.86,;22.63,-32.09,;22.63,-30.54,;21.29,-29.77,;21.29,-28.23,;22.62,-27.46,;22.61,-25.92,;23.95,-25.15,;25.29,-25.92,;26.62,-25.15,;25.29,-27.46,;23.96,-28.23,;21.29,-34.4,;21.28,-35.93,;21.26,-37.47,;20.02,-38.37,;20.48,-39.84,;22.02,-39.86,;22.51,-38.4,)|
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TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587134
PNG
(CHEMBL5079918)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(C)=O)c(c1)C(N)=O
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n/an/a 203n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587116
PNG
(CHEMBL5084235)
Show SMILES NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CCCCCl |r,wU:10.10,wD:13.14,(55.07,-9.7,;56.4,-8.93,;56.4,-7.39,;57.74,-9.7,;57.73,-11.24,;59.07,-12.01,;60.41,-11.24,;60.4,-9.69,;59.06,-8.93,;59.06,-7.39,;60.39,-6.61,;60.39,-5.08,;61.73,-4.31,;63.06,-5.08,;64.4,-4.31,;63.06,-6.62,;61.73,-7.39,;59.07,-13.55,;59.05,-15.09,;59.04,-16.63,;60.36,-17.41,;60.35,-18.95,;61.68,-19.73,)|
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n/an/a 205n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587120
PNG
(CHEMBL5090316)
Show SMILES NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CCCCC1 |r,wU:10.10,wD:13.14,(30.64,-31.28,;31.98,-30.51,;31.97,-28.97,;33.31,-31.28,;33.31,-32.83,;34.64,-33.6,;35.98,-32.82,;35.97,-31.28,;34.64,-30.51,;34.63,-28.97,;35.96,-28.2,;35.96,-26.67,;37.3,-25.9,;38.63,-26.66,;39.97,-25.9,;38.63,-28.2,;37.3,-28.97,;34.64,-35.14,;34.62,-36.67,;34.61,-38.21,;33.27,-38.96,;33.25,-40.49,;34.58,-41.28,;35.92,-40.53,;35.94,-38.98,)|
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587132
PNG
(CHEMBL5089381)
Show SMILES CCCCC#Cc1ccc(NC2CCOCC2)c(c1)C(N)=O
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n/an/a 234n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587118
PNG
(CHEMBL5084137)
Show SMILES NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CC1 |r,wU:10.10,wD:13.14,(3.94,-30.24,;5.27,-29.47,;5.27,-27.93,;6.61,-30.24,;6.61,-31.78,;7.94,-32.55,;9.28,-31.78,;9.27,-30.23,;7.94,-29.47,;7.93,-27.93,;9.26,-27.15,;9.26,-25.62,;10.6,-24.85,;11.93,-25.62,;13.27,-24.85,;11.93,-27.16,;10.6,-27.93,;7.94,-34.09,;7.93,-35.63,;7.91,-37.17,;7.13,-38.5,;8.67,-38.52,)|
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n/an/a 251n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587130
PNG
(CHEMBL5094079)
Show SMILES CCCCC#Cc1ccc(NC2CCOC2)c(c1)C(N)=O
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587114
PNG
(CHEMBL5087678)
Show SMILES CC(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(33.7,-19.29,;33.71,-17.75,;35.05,-17,;32.39,-16.97,;32.4,-15.43,;32.42,-13.9,;32.42,-12.36,;33.75,-11.58,;33.75,-10.03,;32.41,-9.27,;32.41,-7.73,;33.74,-6.96,;33.74,-5.42,;35.07,-4.65,;36.41,-5.42,;37.74,-4.65,;36.41,-6.96,;35.08,-7.73,;31.08,-10.04,;31.08,-11.59,;29.75,-9.27,;28.42,-10.04,;29.75,-7.73,)|
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TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587113
PNG
(CHEMBL5093787)
Show SMILES CC(C)(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(18.98,-17.49,;20.32,-16.74,;21.65,-17.52,;20.32,-18.27,;20.34,-15.2,;20.35,-13.66,;20.35,-12.12,;21.69,-11.35,;21.69,-9.8,;20.35,-9.04,;20.35,-7.5,;21.68,-6.72,;21.67,-5.19,;23.01,-4.42,;24.35,-5.19,;25.68,-4.42,;24.34,-6.73,;23.02,-7.5,;19.02,-9.81,;19.02,-11.35,;17.69,-9.04,;16.35,-9.81,;17.69,-7.5,)|
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n/an/a 325n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587133
PNG
(CHEMBL5090818)
Show SMILES CCCCC#Cc1ccc(NCC2CCOCC2)c(c1)C(N)=O
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n/an/a 393n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587117
PNG
(CHEMBL5087889)
Show SMILES CC(C)CCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:12.11,wD:15.15,(74.28,-19.33,;72.96,-18.55,;71.62,-19.3,;72.97,-17.01,;71.65,-16.22,;71.66,-14.68,;71.68,-13.15,;71.68,-11.61,;73.01,-10.84,;73.01,-9.29,;71.67,-8.52,;71.67,-6.98,;73,-6.21,;72.99,-4.68,;74.33,-3.9,;75.67,-4.67,;77,-3.91,;75.67,-6.22,;74.34,-6.98,;70.34,-9.29,;70.34,-10.84,;69.01,-8.52,;67.68,-9.29,;69.01,-6.98,)|
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TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587138
PNG
(CHEMBL5084856)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)C2CC2)c(c1)C(N)=O
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n/an/a 528n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587137
PNG
(CHEMBL5087347)
Show SMILES CCCCC#Cc1ccc(NC2CCCNC2)c(c1)C(N)=O
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n/an/a 627n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587139
PNG
(CHEMBL5091405)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CC2CC2)c(c1)C(N)=O
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n/an/a 797n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587112
PNG
(CHEMBL5075059)
Show SMILES CC(C)C#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:10.9,wD:13.13,(6.49,-17.61,;7.83,-16.85,;9.16,-17.64,;7.85,-15.31,;7.86,-13.78,;7.86,-12.24,;9.2,-11.47,;9.19,-9.92,;7.86,-9.15,;7.85,-7.61,;9.19,-6.84,;9.18,-5.31,;10.52,-4.53,;11.86,-5.3,;13.19,-4.54,;11.85,-6.85,;10.53,-7.61,;6.53,-9.92,;6.53,-11.47,;5.2,-9.15,;3.86,-9.92,;5.2,-7.61,)|
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n/an/a 914n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587131
PNG
(CHEMBL5077310)
Show SMILES CCCCC#Cc1ccc(NCC2CCOC2)c(c1)C(N)=O
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n/an/a 947n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587142
PNG
(CHEMBL5090524)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CCN2CCOCC2)c(c1)C(N)=O
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n/an/a 985n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587140
PNG
(CHEMBL5070758)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CN(C)C)c(c1)C(N)=O
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n/an/a 1.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587141
PNG
(CHEMBL5093202)
Show SMILES CCCCC#Cc1ccc(NC2CCN(CC2)C(=O)CN2CCOCC2)c(c1)C(N)=O
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n/an/a 1.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587135
PNG
(CHEMBL5088257)
Show SMILES CCCCC#Cc1ccc(NC2CCNCC2)c(c1)C(N)=O
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n/an/a 1.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587129
PNG
(CHEMBL5087473)
Show SMILES CCCCC#Cc1ccc(NCCNC(C)=O)c(c1)C(N)=O
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n/an/a 2.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587145
PNG
(CHEMBL5092629)
Show SMILES CCCCC#Cc1ccc(NC2CCCN(C2)C(C)=O)c(c1)C(N)=O
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n/an/a 2.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587127
PNG
(CHEMBL5089184)
Show SMILES CCCCC#Cc1ccc(NCCCOC)c(c1)C(N)=O
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587144
PNG
(CHEMBL5075220)
Show SMILES CCCCC#Cc1ccc(NCC2CCN(CC2)C(=O)C2CC2)c(c1)C(N)=O
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n/an/a 2.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587126
PNG
(CHEMBL5081112)
Show SMILES CCCCC#Cc1ccc(NCCCO)c(c1)C(N)=O
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n/an/a 2.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587128
PNG
(CHEMBL5089014)
Show SMILES CCCCC#Cc1ccc(NCCCOCC)c(c1)C(N)=O
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n/an/a 3.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587143
PNG
(CHEMBL5077569)
Show SMILES CCCCC#Cc1ccc(NCC2CCN(CC2)C(C)=O)c(c1)C(N)=O
PDB
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n/an/a 4.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587123
PNG
(CHEMBL5076003)
Show SMILES CCCCC#Cc1ccc(NCCO)c(c1)C(N)=O
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n/an/a 6.84E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587125
PNG
(CHEMBL5082207)
Show SMILES CCCCC#Cc1ccc(NCCOCC)c(c1)C(N)=O
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n/an/a 7.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587124
PNG
(CHEMBL5085266)
Show SMILES CCCCC#Cc1ccc(NCCOC)c(c1)C(N)=O
PDB
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n/an/a 1.09E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587136
PNG
(CHEMBL5088079)
Show SMILES CCCCC#Cc1ccc(NCC2CCNCC2)c(c1)C(N)=O
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n/an/a 1.66E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587121
PNG
(CHEMBL5091953)
Show SMILES CN(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(45.86,-40.76,;45.88,-39.22,;44.55,-38.44,;47.22,-38.46,;47.23,-36.92,;47.25,-35.39,;47.25,-33.85,;48.59,-33.07,;48.58,-31.52,;47.25,-30.76,;47.24,-29.22,;48.57,-28.45,;48.57,-26.91,;49.91,-26.14,;51.24,-26.91,;52.58,-26.14,;51.24,-28.45,;49.91,-29.22,;45.92,-31.53,;45.91,-33.08,;44.58,-30.76,;43.25,-31.53,;44.58,-29.22,)|
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n/an/a 6.26E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587122
PNG
(CHEMBL5092143)
Show SMILES CCN(CC)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:13.12,wD:16.16,(58.29,-39.6,;59.63,-38.84,;59.64,-37.3,;58.32,-36.52,;56.98,-37.28,;60.99,-36.55,;61,-35.01,;61.01,-33.47,;61.02,-31.93,;62.35,-31.16,;62.35,-29.61,;61.01,-28.85,;61.01,-27.31,;62.34,-26.53,;62.33,-25,;63.67,-24.23,;65.01,-25,;66.34,-24.23,;65.01,-26.54,;63.68,-27.31,;59.68,-29.62,;59.68,-31.16,;58.35,-28.85,;57.02,-29.62,;58.35,-27.31,)|
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50087721
PNG
(CHEMBL3426781)
Show SMILES CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)
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n/an/an/a>2.50E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Hsp90alpha (unknown origin) by fluorescent polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169935
PNG
(CHEMBL3805249)
Show SMILES CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 200n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Grp94 (unknown origin) by fluorescent polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50087721
PNG
(CHEMBL3426781)
Show SMILES CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12
Show InChI InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)
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n/an/an/a 220n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Grp94 (unknown origin) by fluorescent polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50587146
PNG
(CHEMBL5073759)
Show SMILES CCOC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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n/an/an/a 200n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Grp94 (unknown origin) by fluorescent polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50587115
PNG
(CHEMBL5093243)
Show SMILES CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(47.16,-21.25,;45.83,-20.47,;45.85,-18.93,;44.52,-18.15,;44.53,-16.61,;44.55,-15.07,;44.55,-13.53,;45.89,-12.76,;45.88,-11.21,;44.55,-10.44,;44.54,-8.9,;45.87,-8.13,;45.87,-6.6,;47.21,-5.83,;48.54,-6.6,;49.88,-5.83,;48.54,-8.14,;47.21,-8.9,;43.22,-11.22,;43.22,-12.76,;41.88,-10.45,;40.55,-11.22,;41.88,-8.91,)|
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n/an/an/an/an/a 0.114n/an/an/a


TBA

Assay Description
Binding affinity to His-tagged human N-terminal HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation cons...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50169935
PNG
(CHEMBL3805249)
Show SMILES CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 8.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Hsp90alpha (unknown origin) by fluorescent polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair
Endoplasmin


(Canis familiaris)
BDBM50587115
PNG
(CHEMBL5093243)
Show SMILES CCCCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(47.16,-21.25,;45.83,-20.47,;45.85,-18.93,;44.52,-18.15,;44.53,-16.61,;44.55,-15.07,;44.55,-13.53,;45.89,-12.76,;45.88,-11.21,;44.55,-10.44,;44.54,-8.9,;45.87,-8.13,;45.87,-6.6,;47.21,-5.83,;48.54,-6.6,;49.88,-5.83,;48.54,-8.14,;47.21,-8.9,;43.22,-11.22,;43.22,-12.76,;41.88,-10.45,;40.55,-11.22,;41.88,-8.91,)|
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n/an/an/an/an/a 0.0284n/an/an/a


TBA

Assay Description
Binding affinity to GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 0.37 to 1...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113604
BindingDB Entry DOI: 10.7270/Q2GQ72PN
More data for this
Ligand-Target Pair