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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50468123   
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))
BDBM50468123
PNG
(CHEMBL4291440 | US11247985, Table 3.97)
Show SMILES CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
Show InChI InChI=1S/C31H42FN5/c1-23(2)35-15-17-37(18-16-35)31(11-4-12-31)22-33-27-9-13-36(14-10-27)28-6-3-5-24(20-28)30-21-25-19-26(32)7-8-29(25)34-30/h3,5-8,19-21,23,27,33-34H,4,9-18,22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Pittsburgh Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 100 uM ATP as substrate after...


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
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))
BDBM50468123
PNG
(CHEMBL4291440 | US11247985, Table 3.97)
Show SMILES CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)CCC1
Show InChI InChI=1S/C31H42FN5/c1-23(2)35-15-17-37(18-16-35)31(11-4-12-31)22-33-27-9-13-36(14-10-27)28-6-3-5-24(20-28)30-21-25-19-26(32)7-8-29(25)34-30/h3,5-8,19-21,23,27,33-34H,4,9-18,22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo ass...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25Q509B
More data for this
Ligand-Target Pair