null

SMILES: CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C

InChI Key: InChIKey=XNQKLQZJFYNWRQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 478222   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM478222 (US10894782, No 108 | US10894782, No 75) Show SMILES CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30| Show InChI InChI=1S/C30H35N7O3S/c1-23-20-26(13-12-24(23)8-7-19-39-30(38)34-36-17-15-35(2)16-18-36)40-22-28-32-33-29(41-27-10-4-3-5-11-27)37(28)25-9-6-14-31-21-25/h4,6,9-10,12-14,20-21,27H,3,5,11,15-19,22H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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)
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM478222 (US10894782, No 108 | US10894782, No 75) Show SMILES CN1CCN(CC1)NC(=O)OCC#Cc1ccc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)cc1C |c:30| Show InChI InChI=1S/C30H35N7O3S/c1-23-20-26(13-12-24(23)8-7-19-39-30(38)34-36-17-15-35(2)16-18-36)40-22-28-32-33-29(41-27-10-4-3-5-11-27)37(28)25-9-6-14-31-21-25/h4,6,9-10,12-14,20-21,27H,3,5,11,15-19,22H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	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)
					More data for this Ligand-Target Pair