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PubMed code 26713109

Compile data set for download or QSAR
Found 6 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))
BDBM50158905
PNG
(CHEMBL3787674 | US11247985, Table 3.61)
Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C28H38N6O2/c1-21(2)32-16-14-31(15-17-32)13-10-29-24-8-11-33(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(34(35)36)6-7-27(23)30-28/h3-7,18-21,24,29-30H,8-17H2,1-2H3
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50158906
PNG
(CHEMBL3785307 | US11247985, Table 3.123)
Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(C)ccc3[nH]2)CC1
Show InChI InChI=1S/C29H41N5/c1-22(2)33-17-15-32(16-18-33)14-11-30-26-9-12-34(13-10-26)27-6-4-5-24(20-27)29-21-25-19-23(3)7-8-28(25)31-29/h4-8,19-22,26,30-31H,9-18H2,1-3H3
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PubMed
n/an/a 240n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50158907
PNG
(CHEMBL3786444 | US11247985, Table 3.10)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1cccc(c1)N1CCC(CC1)NCCN1CCN(CC1)C(C)C
Show InChI InChI=1S/C29H41N5O/c1-22(2)33-17-15-32(16-18-33)14-11-30-25-9-12-34(13-10-25)26-6-4-5-23(19-26)29-21-24-20-27(35-3)7-8-28(24)31-29/h4-8,19-22,25,30-31H,9-18H2,1-3H3
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Article
PubMed
n/an/a 710n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50158908
PNG
(CHEMBL3786894 | US11247985, Table 3.62)
Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(OC(F)(F)F)ccc3[nH]2)CC1
Show InChI InChI=1S/C29H38F3N5O/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28/h3-7,18-21,24,33-34H,8-17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50158903
PNG
(CHEMBL3786710 | US11247985, Table 3.92)
Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H38F3N5/c1-21(2)36-16-14-35(15-17-36)13-10-33-25-8-11-37(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29(30,31)32)6-7-27(23)34-28/h3-7,18-21,25,33-34H,8-17H2,1-2H3
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50158904
PNG
(CHEMBL3787683 | US11247985, Table 3.146)
Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(ccc3[nH]2)S(F)(F)(F)(F)F)CC1
Show InChI InChI=1S/C28H38F5N5S/c1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33/h3-7,18-21,24,34-35H,8-17H2,1-2H3
PDB

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Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP


ACS Med Chem Lett 6: 1225-30 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00364
BindingDB Entry DOI: 10.7270/Q2C82C6S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%