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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50468105   
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))		BDBM50468105
PNG
(CHEMBL4288427 | US11247985, Table 3.99)
Show SMILES CC(C)(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C29H41N5/c1-29(2,3)34-19-17-32(18-20-34)16-13-30-25-11-14-33(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)31-28/h4-10,21-22,25,30-31H,11-20H2,1-3H3
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
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50468105
PNG
(CHEMBL4288427 | US11247985, Table 3.99)
Show SMILES CC(C)(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C29H41N5/c1-29(2,3)34-19-17-32(18-20-34)16-13-30-25-11-14-33(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)31-28/h4-10,21-22,25,30-31H,11-20H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/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