Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50158906'   

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))	BDBM50158906 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	200	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))	BDBM50158906 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) by ADP-Glo assay				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318 BindingDB Entry DOI: 10.7270/Q2N58QQC
					More data for this Ligand-Target Pair