Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transitional endoplasmic reticulum ATPase' and Ligand = 'BDBM50468104'   

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))	BDBM50468104 (CHEMBL4276767 | US11247985, Table 3.23) Show SMILES Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	810	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))	BDBM50468104 (CHEMBL4276767 | US11247985, Table 3.23) Show SMILES Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468104 (CHEMBL4276767 | US11247985, Table 3.23) Show SMILES Cn1ncnc1CCNC1CCN(CC1)c1cccc(c1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C24H28N6/c1-29-24(26-17-27-29)9-12-25-20-10-13-30(14-11-20)21-7-4-6-18(15-21)23-16-19-5-2-3-8-22(19)28-23/h2-8,15-17,20,25,28H,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	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 20 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