Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50514008'   

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))	BDBM50514008 (CHEMBL4450581 | US10894782, No 11) Show SMILES CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C26H31N5OS/c1-19(2)28-15-6-8-21-12-13-23(16-20(21)3)32-18-25-29-30-26(33-24-10-4-5-11-24)31(25)22-9-7-14-27-17-22/h7,9,12-14,16-17,19,24,28H,4-5,10-11,15,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the...				US Patent US10894782 (2021) BindingDB Entry DOI: 10.7270/Q2TH8QTQ
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50514008 (CHEMBL4450581 | US10894782, No 11) Show SMILES CC(C)NCC#Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C26H31N5OS/c1-19(2)28-15-6-8-21-12-13-23(16-20(21)3)32-18-25-29-30-26(33-24-10-4-5-11-24)31(25)22-9-7-14-27-17-22/h7,9,12-14,16-17,19,24,28H,4-5,10-11,15,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by biomol green reagent based 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