BindingDB logo
myBDB logout

null

SMILES: CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F

InChI Key: InChIKey=HVOGNLQAUBMVLW-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 = 478271   
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))		BDBM478271
PNG
(US10894782, No 124)
Show SMILES CN1CCC(CC1)NC(=O)OCC#Cc1cc(F)c(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1F
Show InChI InChI=1S/C29H32F2N6O3S/c1-36-13-10-21(11-14-36)33-29(38)39-15-5-6-20-16-25(31)26(17-24(20)30)40-19-27-34-35-28(41-23-8-2-3-9-23)37(27)22-7-4-12-32-18-22/h4,7,12,16-18,21,23H,2-3,8-11,13-15,19H2,1H3,(H,33,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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