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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50424917   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transitional endoplasmic reticulum ATPase


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

KEGG

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CHEMBL
MCE
PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 1 hr by microscopic analysis


ACS Med Chem Lett 9: 1075-1081 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00372
BindingDB Entry DOI: 10.7270/Q23F4SBJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 6 hrs by microscopic analysis


ACS Med Chem Lett 9: 1075-1081 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00372
BindingDB Entry DOI: 10.7270/Q23F4SBJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)