Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50468122'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468122 (CHEMBL4291849 | US11247985, Table 3.15) Show SMILES CCN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C27H37N5/c1-2-30-16-18-31(19-17-30)15-12-28-24-10-13-32(14-11-24)25-8-5-7-22(20-25)27-21-23-6-3-4-9-26(23)29-27/h3-9,20-21,24,28-29H,2,10-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50468122 (CHEMBL4291849 | US11247985, Table 3.15) Show SMILES CCN1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C27H37N5/c1-2-30-16-18-31(19-17-30)15-12-28-24-10-13-32(14-11-24)25-8-5-7-22(20-25)27-21-23-6-3-4-9-26(23)29-27/h3-9,20-21,24,28-29H,2,10-19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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