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SMILES: CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3cnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1

InChI Key: InChIKey=LGWAGHDCBNDQCM-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 478218   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM478218
PNG
(US10894782, No 71)
Show SMILES CC(C)N1CCN(CCNC(=O)OCC#Cc2ccc(OCc3cnc(SC4CCCC=C4)n3-c3cccnc3)cc2C)CC1 |c:31|
Show InChI InChI=1S/C35H44N6O3S/c1-27(2)40-20-18-39(19-21-40)17-16-37-35(42)43-22-8-9-29-13-14-32(23-28(29)3)44-26-31-25-38-34(45-33-11-5-4-6-12-33)41(31)30-10-7-15-36-24-30/h5,7,10-11,13-15,23-25,27,33H,4,6,12,16-22,26H2,1-3H3,(H,37,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/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