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SMILES: Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)C1CC1

InChI Key: InChIKey=XDEIDNOSSLVGIK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 478250   
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))
BDBM478250
PNG
(US10894782, No 103)
Show SMILES Cc1cc(OCc2nnc(SC3CCCC=C3)n2-c2cccnc2)ccc1C#CCNC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C28H29N5O2S/c1-20-17-24(14-13-21(20)7-5-16-30-27(34)22-11-12-22)35-19-26-31-32-28(36-25-9-3-2-4-10-25)33(26)23-8-6-15-29-18-23/h3,6,8-9,13-15,17-18,22,25H,2,4,10-12,16,19H2,1H3,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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