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Compile Data Set for Download or QSAR

Found 119 hits of kd for UniProtKB: P14625   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endoplasmin


(Homo sapiens (Human))
BDBM210939
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-phenyl...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,)|
Show InChI InChI=1S/C23H25N3O2/c24-23(28)20-13-10-18(15-21(20)25-17-8-11-19(27)12-9-17)26-14-4-7-22(26)16-5-2-1-3-6-16/h1-7,10,13-15,17,19,25,27H,8-9,11-12H2,(H2,24,28)
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n/an/an/a 9.05E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210940
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(o-tol...)
Show SMILES Cc1ccccc1-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(4.27,-3.31,;3.95,-1.8,;2.48,-1.33,;2.16,.18,;3.31,1.21,;4.77,.73,;5.09,-.77,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Show InChI InChI=1S/C24H27N3O2/c1-16-5-2-3-6-20(16)23-7-4-14-27(23)18-10-13-21(24(25)29)22(15-18)26-17-8-11-19(28)12-9-17/h2-7,10,13-15,17,19,26,28H,8-9,11-12H2,1H3,(H2,25,29)
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n/an/an/a 9.90E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210941
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(m-tol...)
Show SMILES Cc1cccc(c1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(2.99,2.71,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Show InChI InChI=1S/C24H27N3O2/c1-16-4-2-5-17(14-16)23-6-3-13-27(23)19-9-12-21(24(25)29)22(15-19)26-18-7-10-20(28)11-8-18/h2-6,9,12-15,18,20,26,28H,7-8,10-11H2,1H3,(H2,25,29)
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n/an/an/a 9.43E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210942
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(p-tol...)
Show SMILES Cc1ccc(cc1)-c1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(.7,.65,;2.16,.18,;2.48,-1.33,;3.95,-1.8,;5.09,-.77,;4.77,.73,;3.31,1.21,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Show InChI InChI=1S/C24H27N3O2/c1-16-4-6-17(7-5-16)23-3-2-14-27(23)19-10-13-21(24(25)29)22(15-19)26-18-8-11-20(28)12-9-18/h2-7,10,13-15,18,20,26,28H,8-9,11-12H2,1H3,(H2,25,29)
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n/an/an/a 8.35E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210943
PNG
(4-(2-(2-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1Cl |(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;9.34,-.77,;6.67,-.77,;5.33,,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-2.52,-3.77,;-2.2,-5.28,)|
Show InChI InChI=1S/C23H24ClN3O2/c24-20-5-2-1-4-18(20)22-6-3-13-27(22)16-9-12-19(23(25)29)21(14-16)26-15-7-10-17(28)11-8-15/h1-6,9,12-15,17,26,28H,7-8,10-11H2,(H2,25,29)
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n/an/an/a 2.94E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210944
PNG
(4-(2-(3-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccc(Cl)c1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;5.19,-3.77,;6.65,-3.29,;6.97,-1.79,;5.83,-.76,;6.15,.75,;4.36,-1.23,)|
Show InChI InChI=1S/C23H24ClN3O2/c24-16-4-1-3-15(13-16)22-5-2-12-27(22)18-8-11-20(23(25)29)21(14-18)26-17-6-9-19(28)10-7-17/h1-5,8,11-14,17,19,26,28H,6-7,9-10H2,(H2,25,29)
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n/an/an/a 1.58E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210945
PNG
(4-(2-(4-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccc(Cl)cc1 |(,4.62,;1.33,3.85,;2.67,4.62,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-6.67,-.77,;-5.33,1.54,;-4,2.31,;1.33,-2.31,;.09,-3.22,;.56,-4.68,;2.1,-4.68,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;8.44,-1.31,;6.65,-3.29,;5.19,-3.77,)|
Show InChI InChI=1S/C23H24ClN3O2/c24-16-5-3-15(4-6-16)22-2-1-13-27(22)18-9-12-20(23(25)29)21(14-18)26-17-7-10-19(28)11-8-17/h1-6,9,12-14,17,19,26,28H,7-8,10-11H2,(H2,25,29)
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n/an/an/a 1.06E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210946
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
Show InChI InChI=1S/C22H24N4O2/c23-22(28)18-11-8-16(14-20(18)25-15-6-9-17(27)10-7-15)26-13-3-5-21(26)19-4-1-2-12-24-19/h1-5,8,11-15,17,25,27H,6-7,9-10H2,(H2,23,28)
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n/an/an/a 1.40E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210947
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
Show InChI InChI=1S/C22H24N4O2/c23-22(28)19-10-7-17(13-20(19)25-16-5-8-18(27)9-6-16)26-12-2-4-21(26)15-3-1-11-24-14-15/h1-4,7,10-14,16,18,25,27H,5-6,8-9H2,(H2,23,28)
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n/an/an/a 5.50E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210948
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;5.09,-.77,;4.77,.73,;3.31,1.21,;2.16,.18,;2.48,-1.33,;3.95,-1.8,)|
Show InChI InChI=1S/C22H24N4O2/c23-22(28)19-8-5-17(14-20(19)25-16-3-6-18(27)7-4-16)26-13-1-2-21(26)15-9-11-24-12-10-15/h1-2,5,8-14,16,18,25,27H,3-4,6-7H2,(H2,23,28)
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n/an/an/a 1.32E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210949
PNG
(4-(2-benzyl-1H-pyrrol-1-yl)-2-(((1r,4r)-4-hydroxyc...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;8.48,-6.42,;7.34,-5.39,)|
Show InChI InChI=1S/C24H27N3O2/c25-24(29)22-13-10-20(16-23(22)26-18-8-11-21(28)12-9-18)27-14-4-7-19(27)15-17-5-2-1-3-6-17/h1-7,10,13-14,16,18,21,26,28H,8-9,11-12,15H2,(H2,25,29)
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n/an/an/a 1.13E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210950
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-phenet...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1CCc1ccccc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;13.44,.18,;14.91,.65,;16.05,-.38,;15.73,-1.88,;14.27,-2.36,)|
Show InChI InChI=1S/C25H29N3O2/c26-25(30)23-15-12-21(17-24(23)27-19-9-13-22(29)14-10-19)28-16-4-7-20(28)11-8-18-5-2-1-3-6-18/h1-7,12,15-17,19,22,27,29H,8-11,13-14H2,(H2,26,30)
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n/an/an/a>2.50E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210951
PNG
(4-(2-(2-chlorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Cl |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Show InChI InChI=1S/C24H26ClN3O2/c25-22-6-2-1-4-16(22)14-18-5-3-13-28(18)19-9-12-21(24(26)30)23(15-19)27-17-7-10-20(29)11-8-17/h1-6,9,12-13,15,17,20,27,29H,7-8,10-11,14H2,(H2,26,30)
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n/an/an/a 830n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210952
PNG
(4-(2-(3-chlorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(Cl)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
Show InChI InChI=1S/C24H26ClN3O2/c25-17-4-1-3-16(13-17)14-19-5-2-12-28(19)20-8-11-22(24(26)30)23(15-20)27-18-6-9-21(29)10-7-18/h1-5,8,11-13,15,18,21,27,29H,6-7,9-10,14H2,(H2,26,30)
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n/an/an/a 2.45E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210953
PNG
(4-(2-(4-chlorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(Cl)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
Show InChI InChI=1S/C24H26ClN3O2/c25-17-5-3-16(4-6-17)14-19-2-1-13-28(19)20-9-12-22(24(26)30)23(15-20)27-18-7-10-21(29)11-8-18/h1-6,9,12-13,15,18,21,27,29H,7-8,10-11,14H2,(H2,26,30)
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n/an/an/a>2.50E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210954
PNG
(4-(2-(2-fluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1F |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Show InChI InChI=1S/C24H26FN3O2/c25-22-6-2-1-4-16(22)14-18-5-3-13-28(18)19-9-12-21(24(26)30)23(15-19)27-17-7-10-20(29)11-8-17/h1-6,9,12-13,15,17,20,27,29H,7-8,10-11,14H2,(H2,26,30)
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n/an/an/a 720n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210955
PNG
(4-(2-(3-fluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(F)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
Show InChI InChI=1S/C24H26FN3O2/c25-17-4-1-3-16(13-17)14-19-5-2-12-28(19)20-8-11-22(24(26)30)23(15-20)27-18-6-9-21(29)10-7-18/h1-5,8,11-13,15,18,21,27,29H,6-7,9-10,14H2,(H2,26,30)
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n/an/an/a 4.53E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210956
PNG
(4-(2-(4-fluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(F)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
Show InChI InChI=1S/C24H26FN3O2/c25-17-5-3-16(4-6-17)14-19-2-1-13-28(19)20-9-12-22(24(26)30)23(15-20)27-18-7-10-21(29)11-8-18/h1-6,9,12-13,15,18,21,27,29H,7-8,10-11,14H2,(H2,26,30)
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n/an/an/a 8.35E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210957
PNG
(4-(2-(2-bromobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-4...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Br |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Show InChI InChI=1S/C24H26BrN3O2/c25-22-6-2-1-4-16(22)14-18-5-3-13-28(18)19-9-12-21(24(26)30)23(15-19)27-17-7-10-20(29)11-8-17/h1-6,9,12-13,15,17,20,27,29H,7-8,10-11,14H2,(H2,26,30)
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n/an/an/a 1.29E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210958
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(2-met...)
Show SMILES Cc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Show InChI InChI=1S/C25H29N3O2/c1-17-5-2-3-6-18(17)15-20-7-4-14-28(20)21-10-13-23(25(26)30)24(16-21)27-19-8-11-22(29)12-9-19/h2-7,10,13-14,16,19,22,27,29H,8-9,11-12,15H2,1H3,(H2,26,30)
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n/an/an/a 4.20E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210959
PNG
(4-(2-(2-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1O |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Show InChI InChI=1S/C24H27N3O3/c25-24(30)21-12-9-19(15-22(21)26-17-7-10-20(28)11-8-17)27-13-3-5-18(27)14-16-4-1-2-6-23(16)29/h1-6,9,12-13,15,17,20,26,28-29H,7-8,10-11,14H2,(H2,25,30)
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n/an/an/a 440n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210960
PNG
(4-(2-(3-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccc(O)c1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;11.73,-3.96,;9.12,-3.41,)|
Show InChI InChI=1S/C24H27N3O3/c25-24(30)22-11-8-19(15-23(22)26-17-6-9-20(28)10-7-17)27-12-2-4-18(27)13-16-3-1-5-21(29)14-16/h1-5,8,11-12,14-15,17,20,26,28-29H,6-7,9-10,13H2,(H2,25,30)
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n/an/an/a>2.50E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210961
PNG
(4-(2-(4-hydroxybenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccc(O)cc1 |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;9.12,-3.41,;10.27,-4.44,;9.95,-5.95,;11.09,-6.98,;8.48,-6.42,;7.34,-5.39,)|
Show InChI InChI=1S/C24H27N3O3/c25-24(30)22-12-7-19(15-23(22)26-17-5-10-21(29)11-6-17)27-13-1-2-18(27)14-16-3-8-20(28)9-4-16/h1-4,7-9,12-13,15,17,21,26,28-29H,5-6,10-11,14H2,(H2,25,30)
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n/an/an/a 2.06E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210962
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(2-met...)
Show SMILES COc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(14.91,.65,;13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Show InChI InChI=1S/C25H29N3O3/c1-31-24-7-3-2-5-17(24)15-19-6-4-14-28(19)20-10-13-22(25(26)30)23(16-20)27-18-8-11-21(29)12-9-18/h2-7,10,13-14,16,18,21,27,29H,8-9,11-12,15H2,1H3,(H2,26,30)
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n/an/an/a 1.15E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210963
PNG
(4-(2-(2,6-difluorobenzyl)-1H-pyrrol-1-yl)-2-(((1r,...)
Show SMILES NC(=O)c1ccc(cc1N[C@H]1CC[C@H](O)CC1)-n1cccc1Cc1c(F)cccc1F |r,wU:10.10,wD:13.14,(21.96,-8.2,;20.62,-7.43,;19.29,-8.2,;20.62,-5.89,;21.96,-5.12,;21.96,-3.58,;20.62,-2.81,;19.29,-3.58,;19.29,-5.12,;17.96,-5.89,;16.62,-5.12,;15.29,-5.89,;13.96,-5.12,;13.96,-3.58,;12.62,-2.81,;15.29,-2.81,;16.62,-3.58,;20.62,-1.27,;19.38,-.36,;19.85,1.1,;21.39,1.1,;21.87,-.36,;23.34,-.84,;24.48,.19,;25.94,-.28,;26.26,-1.79,;27.09,.75,;26.77,2.26,;25.3,2.73,;24.16,1.7,;22.7,2.18,)|
Show InChI InChI=1S/C24H25F2N3O2/c25-21-4-1-5-22(26)20(21)13-16-3-2-12-29(16)17-8-11-19(24(27)31)23(14-17)28-15-6-9-18(30)10-7-15/h1-5,8,11-12,14-15,18,28,30H,6-7,9-10,13H2,(H2,27,31)/t15-,18-
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n/an/an/a>2.50E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210964
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccn1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|
Show InChI InChI=1S/C23H26N4O2/c24-23(29)21-11-8-19(15-22(21)26-16-6-9-20(28)10-7-16)27-13-3-5-18(27)14-17-4-1-2-12-25-17/h1-5,8,11-13,15-16,20,26,28H,6-7,9-10,14H2,(H2,24,29)
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n/an/an/a 1.40E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210965
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1cccnc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,)|
Show InChI InChI=1S/C23H26N4O2/c24-23(29)21-10-7-19(14-22(21)26-17-5-8-20(28)9-6-17)27-12-2-4-18(27)13-16-3-1-11-25-15-16/h1-4,7,10-12,14-15,17,20,26,28H,5-6,8-9,13H2,(H2,24,29)
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n/an/an/a 5.50E+3n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM210966
PNG
(2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(pyrid...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccncc1 |(9.14,6.59,;7.8,5.82,;6.47,6.59,;7.8,4.28,;6.47,3.51,;6.47,1.97,;7.8,1.2,;9.14,1.97,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;7.8,-.34,;6.56,-1.25,;7.03,-2.71,;8.57,-2.71,;9.05,-1.25,;10.51,-.77,;11.66,-1.8,;11.34,-3.31,;12.48,-4.34,;13.95,-3.87,;14.27,-2.36,;13.12,-1.33,)|
Show InChI InChI=1S/C23H26N4O2/c24-23(29)21-8-5-19(15-22(21)26-17-3-6-20(28)7-4-17)27-13-1-2-18(27)14-16-9-11-25-12-10-16/h1-2,5,8-13,15,17,20,26,28H,3-4,6-7,14H2,(H2,24,29)
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n/an/an/a 1.32E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...


ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051094
PNG
(CHEMBL3309860)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H16ClNO5/c1-24-17(23)15-11(16(18)13(21)9-12(15)20)7-8-14(22)19-10-5-3-2-4-6-10/h2-6,9,20-21H,7-8H2,1H3,(H,19,22)
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n/an/an/a 2.05E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051095
PNG
(CHEMBL3309864)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H22ClNO5/c1-24-17(23)15-11(16(18)13(21)9-12(15)20)7-8-14(22)19-10-5-3-2-4-6-10/h9-10,20-21H,2-8H2,1H3,(H,19,22)
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n/an/an/a 3.52E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051096
PNG
(CHEMBL3309866)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H15Cl2NO5/c1-25-17(24)15-9(16(19)13(22)8-12(15)21)6-7-14(23)20-11-5-3-2-4-10(11)18/h2-5,8,21-22H,6-7H2,1H3,(H,20,23)
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n/an/an/a 1.85E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051097
PNG
(CHEMBL3310526)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H15Cl2NO5/c1-25-17(24)15-11(16(19)13(22)8-12(15)21)5-6-14(23)20-10-4-2-3-9(18)7-10/h2-4,7-8,21-22H,5-6H2,1H3,(H,20,23)
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n/an/an/a 6.42E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051098
PNG
(CHEMBL3310536)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrClNO5/c1-25-17(24)15-11(16(19)13(22)8-12(15)21)6-7-14(23)20-10-4-2-9(18)3-5-10/h2-5,8,21-22H,6-7H2,1H3,(H,20,23)
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n/an/an/a 1.50E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051099
PNG
(CHEMBL3310671)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccn1
Show InChI InChI=1S/C16H15ClN2O5/c1-24-16(23)14-9(15(17)11(21)8-10(14)20)5-6-13(22)19-12-4-2-3-7-18-12/h2-4,7-8,20-21H,5-6H2,1H3,(H,18,19,22)
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n/an/an/a 820n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051100
PNG
(CHEMBL3310679)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nccs1
Show InChI InChI=1S/C14H13ClN2O5S/c1-22-13(21)11-7(12(15)9(19)6-8(11)18)2-3-10(20)17-14-16-4-5-23-14/h4-6,18-19H,2-3H2,1H3,(H,16,17,20)
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n/an/an/a 1.08E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50051101
PNG
(CHEMBL3310680)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nncs1
Show InChI InChI=1S/C13H12ClN3O5S/c1-22-12(21)10-6(11(14)8(19)4-7(10)18)2-3-9(20)16-13-17-15-5-23-13/h4-5,18-19H,2-3H2,1H3,(H,16,17,20)
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n/an/an/a 1.54E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay


Bioorg Med Chem 22: 4083-98 (2014)


Article DOI: 10.1016/j.bmc.2014.05.075
BindingDB Entry DOI: 10.7270/Q2XK8H77
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50087812
PNG
(CHEMBL3426787)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
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n/an/an/a 1.14E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169783
PNG
(CHEMBL3805570)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-14(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(22)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 3.20E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169784
PNG
(CHEMBL3804944)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 810n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169817
PNG
(CHEMBL3805621)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 960n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169843
PNG
(CHEMBL3805286)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1
Show InChI InChI=1S/C21H21ClN2O4/c1-13-3-5-14(6-4-13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 730n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169864
PNG
(CHEMBL3805432)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18ClN3O4/c1-29-21(28)19-15(20(22)17(27)10-16(19)26)6-7-18-24-8-9-25(18)12-14-4-2-13(11-23)3-5-14/h2-5,8-10,26-27H,6-7,12H2,1H3
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n/an/an/a 4.70E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169875
PNG
(CHEMBL3806136)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#C
Show InChI InChI=1S/C22H19ClN2O4/c1-3-14-4-6-15(7-5-14)13-25-11-10-24-19(25)9-8-16-20(22(28)29-2)17(26)12-18(27)21(16)23/h1,4-7,10-12,26-27H,8-9,13H2,2H3
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n/an/an/a 1.40E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169876
PNG
(CHEMBL3805552)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41+,42+,43+,44+,45+,46+,47+,48+,51+/m1/s1
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n/an/an/a 6.90E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169877
PNG
(CHEMBL3805920)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1
Show InChI InChI=1S/C65H97N23O13/c66-26-8-7-17-42(54(67)93)82-61(100)50-21-12-30-88(50)62(101)45(20-11-29-76-65(72)73)85-60(99)49-35-78-51(90)33-48(59(98)84-43(18-9-27-74-63(68)69)56(95)83-44(57(96)87-49)19-10-28-75-64(70)71)86-58(97)47(32-38-13-3-1-4-14-38)81-53(92)37-79-52(91)36-80-55(94)46(31-39-22-24-41(89)25-23-39)77-34-40-15-5-2-6-16-40/h1-6,13-16,22-25,42-50,77,89H,7-12,17-21,26-37,66H2,(H2,67,93)(H,78,90)(H,79,91)(H,80,94)(H,81,92)(H,82,100)(H,83,95)(H,84,98)(H,85,99)(H,86,97)(H,87,96)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t42-,43+,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 1.53E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169878
PNG
(CHEMBL3806252)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-13(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)22/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.36E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169879
PNG
(CHEMBL3805874)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.39E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169880
PNG
(CHEMBL3804985)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Br
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.60E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169881
PNG
(CHEMBL3805571)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-13-5-3-4-6-14(13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 3.00E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))
BDBM50169926
PNG
(CHEMBL3805121)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC
Show InChI InChI=1S/C21H21ClN2O5/c1-28-17-6-4-3-5-13(17)12-24-10-9-23-18(24)8-7-14-19(21(27)29-2)15(25)11-16(26)20(14)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 1.30E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer


J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
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